MiMeDB: Showing metabocard for Arachidic acid (MMDBc0000214)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:40:02 UTC

Update Date

2024-09-29 08:39:38 UTC

Metabolite ID

MMDBc0000214

Metabolite Identification

Common Name

Arachidic acid

Description

Arachidic acid, also known as eicosanoic acid, is a saturated fatty acid found in peanut oil. It can be formed by the hydrogenation of arachidonic acid. It is practically insoluble in water and stable under ordinary conditions (Wikipedia ). Arachidic acid has been identified in the human placenta (PMID: 32033212 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0002212
     RDKit          3D
Arachidic acid
 62 61  0  0  0  0  0  0  0  0999 V2000
   -7.0464    0.8161   -2.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0364    2.1911   -1.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5993    2.2758   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.8511   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8183    0.4650   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3564    0.3175    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.0994   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -1.3117    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -1.0470    1.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -1.3262    2.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635   -0.4173    1.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3788   -0.6427    2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945   -2.0481    1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -2.4256    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -1.5044   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0129   -1.6248    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157   -0.8385   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    0.6170   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    1.4073   -1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    2.8723   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370    3.7636   -1.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    3.1469   -0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    0.7364   -3.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9565    0.6641   -3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920    0.0106   -1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    2.9388   -2.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1171    2.5324   -1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7362    3.3573   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3866    1.7512    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287    2.0365    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810    2.5638   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    0.1257   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3941   -0.2889    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.9978   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3349    0.5855    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -1.3141   -1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -1.7791    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.5331   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -2.3017    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.6937    2.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    0.0032    2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.2140    3.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -2.4087    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.6221    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    0.6593    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.4097    3.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    0.1018    1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988   -2.6949    2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956   -2.2605    2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   -3.4921    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851   -2.4025   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -1.8136   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   -0.5305   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056   -1.3806    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2699   -2.7280   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631   -1.2196   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445   -1.1635   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960    1.0597    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    0.9322   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799    1.2239   -2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.4175   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    3.1154   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 22 62  1  0
M  END


  Mrv1652309272007472D          

 22 21  0  0  0  0            999 V2000
 9997.2440 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9588 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.6737 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3893 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1029 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8185 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5322 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2479 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.9635 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.6771 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.3928 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.1105 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.8241 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5290 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8141 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.0993 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3845 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.6695 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.9546 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.2377 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.5229 9998.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.2377 9999.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000214

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

> <INCHI_KEY>
VKOBVWXKNCXXDE-UHFFFAOYSA-N

> <FORMULA>
C20H40O2

> <MOLECULAR_WEIGHT>
312.5304

> <EXACT_MASS>
312.302830524

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
42.914811101690646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
icosanoic acid

> <ALOGPS_LOGP>
8.53

> <JCHEM_LOGP>
8.034857437666666

> <ALOGPS_LOGS>
-6.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
95.48759999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.96e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
arachidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002212
     RDKit          3D
Arachidic acid
 62 61  0  0  0  0  0  0  0  0999 V2000
   -7.0464    0.8161   -2.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0364    2.1911   -1.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5993    2.2758   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.8511   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8183    0.4650   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3564    0.3175    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.0994   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -1.3117    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -1.0470    1.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -1.3262    2.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635   -0.4173    1.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3788   -0.6427    2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945   -2.0481    1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -2.4256    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -1.5044   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0129   -1.6248    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157   -0.8385   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    0.6170   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    1.4073   -1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    2.8723   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370    3.7636   -1.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    3.1469   -0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    0.7364   -3.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9565    0.6641   -3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920    0.0106   -1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    2.9388   -2.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1171    2.5324   -1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7362    3.3573   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3866    1.7512    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287    2.0365    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810    2.5638   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    0.1257   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3941   -0.2889    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.9978   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3349    0.5855    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -1.3141   -1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -1.7791    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.5331   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -2.3017    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.6937    2.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    0.0032    2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.2140    3.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -2.4087    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.6221    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    0.6593    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.4097    3.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    0.1018    1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988   -2.6949    2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956   -2.2605    2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   -3.4921    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851   -2.4025   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -1.8136   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   -0.5305   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056   -1.3806    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2699   -2.7280   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631   -1.2196   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445   -1.1635   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960    1.0597    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    0.9322   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799    1.2239   -2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.4175   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    3.1154   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 22 62  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8661.5228663.064   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8662.8568663.832   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8664.1918663.064   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8665.5278663.832   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8666.8598663.064   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8668.1958663.832   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8669.5278663.064   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8670.8638663.832   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8672.1988663.064   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8673.5318663.832   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8674.8678663.064   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8676.2068663.832   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8677.5388663.064   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8660.1878663.832   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8658.8538663.064   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8657.5198663.832   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8656.1848663.064   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8654.8508663.832   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8653.5158663.064   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8652.1778663.832   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8650.8438663.064   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0    8652.1778665.373   0.000  0.00  0.00           O+0
CONECT    1    2   14                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14    1   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

COMPND    HMDB0002212
HETATM    1  C1  UNL     1      -7.046   0.816  -2.404  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.036   2.191  -1.795  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.599   2.276  -0.386  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.246   1.851  -0.020  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.818   0.465  -0.265  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.356   0.318   0.242  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.938  -1.099  -0.016  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.515  -1.312   0.430  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.394  -1.047   1.896  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.041  -1.326   2.337  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.963  -0.417   1.585  1.00  0.00           C  
HETATM   12  C12 UNL     1       2.379  -0.643   2.055  1.00  0.00           C  
HETATM   13  C13 UNL     1       2.795  -2.048   1.823  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.715  -2.426   0.382  1.00  0.00           C  
HETATM   15  C15 UNL     1       3.600  -1.504  -0.448  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.013  -1.625   0.001  1.00  0.00           C  
HETATM   17  C17 UNL     1       6.016  -0.839  -0.742  1.00  0.00           C  
HETATM   18  C18 UNL     1       6.034   0.617  -0.769  1.00  0.00           C  
HETATM   19  C19 UNL     1       4.904   1.407  -1.302  1.00  0.00           C  
HETATM   20  C20 UNL     1       5.326   2.872  -1.242  1.00  0.00           C  
HETATM   21  O1  UNL     1       4.537   3.764  -1.640  1.00  0.00           O  
HETATM   22  O2  UNL     1       6.578   3.147  -0.742  1.00  0.00           O  
HETATM   23  H1  UNL     1      -6.176   0.736  -3.099  1.00  0.00           H  
HETATM   24  H2  UNL     1      -7.957   0.664  -3.054  1.00  0.00           H  
HETATM   25  H3  UNL     1      -7.092   0.011  -1.669  1.00  0.00           H  
HETATM   26  H4  UNL     1      -6.536   2.939  -2.465  1.00  0.00           H  
HETATM   27  H5  UNL     1      -8.117   2.532  -1.812  1.00  0.00           H  
HETATM   28  H6  UNL     1      -6.736   3.357  -0.075  1.00  0.00           H  
HETATM   29  H7  UNL     1      -7.387   1.751   0.229  1.00  0.00           H  
HETATM   30  H8  UNL     1      -5.129   2.036   1.092  1.00  0.00           H  
HETATM   31  H9  UNL     1      -4.481   2.564  -0.457  1.00  0.00           H  
HETATM   32  H10 UNL     1      -4.760   0.126  -1.305  1.00  0.00           H  
HETATM   33  H11 UNL     1      -5.394  -0.289   0.306  1.00  0.00           H  
HETATM   34  H12 UNL     1      -2.754   0.998  -0.387  1.00  0.00           H  
HETATM   35  H13 UNL     1      -3.335   0.586   1.320  1.00  0.00           H  
HETATM   36  H14 UNL     1      -3.073  -1.314  -1.100  1.00  0.00           H  
HETATM   37  H15 UNL     1      -3.623  -1.779   0.571  1.00  0.00           H  
HETATM   38  H16 UNL     1      -0.928  -0.533  -0.149  1.00  0.00           H  
HETATM   39  H17 UNL     1      -1.121  -2.302   0.133  1.00  0.00           H  
HETATM   40  H18 UNL     1      -2.033  -1.694   2.515  1.00  0.00           H  
HETATM   41  H19 UNL     1      -1.666   0.003   2.141  1.00  0.00           H  
HETATM   42  H20 UNL     1       0.097  -1.214   3.425  1.00  0.00           H  
HETATM   43  H21 UNL     1       0.200  -2.409   2.043  1.00  0.00           H  
HETATM   44  H22 UNL     1       0.902  -0.622   0.493  1.00  0.00           H  
HETATM   45  H23 UNL     1       0.667   0.659   1.729  1.00  0.00           H  
HETATM   46  H24 UNL     1       2.360  -0.410   3.160  1.00  0.00           H  
HETATM   47  H25 UNL     1       3.009   0.102   1.519  1.00  0.00           H  
HETATM   48  H26 UNL     1       2.099  -2.695   2.443  1.00  0.00           H  
HETATM   49  H27 UNL     1       3.796  -2.260   2.267  1.00  0.00           H  
HETATM   50  H28 UNL     1       3.055  -3.492   0.240  1.00  0.00           H  
HETATM   51  H29 UNL     1       1.685  -2.402  -0.018  1.00  0.00           H  
HETATM   52  H30 UNL     1       3.574  -1.814  -1.524  1.00  0.00           H  
HETATM   53  H31 UNL     1       3.131  -0.530  -0.402  1.00  0.00           H  
HETATM   54  H32 UNL     1       5.106  -1.381   1.109  1.00  0.00           H  
HETATM   55  H33 UNL     1       5.270  -2.728  -0.061  1.00  0.00           H  
HETATM   56  H34 UNL     1       6.063  -1.220  -1.817  1.00  0.00           H  
HETATM   57  H35 UNL     1       7.045  -1.164  -0.331  1.00  0.00           H  
HETATM   58  H36 UNL     1       6.296   1.060   0.245  1.00  0.00           H  
HETATM   59  H37 UNL     1       6.943   0.932  -1.394  1.00  0.00           H  
HETATM   60  H38 UNL     1       4.680   1.224  -2.372  1.00  0.00           H  
HETATM   61  H39 UNL     1       3.987   1.418  -0.662  1.00  0.00           H  
HETATM   62  H40 UNL     1       7.383   3.115  -1.340  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3   26   27
CONECT    3    4   28   29
CONECT    4    5   30   31
CONECT    5    6   32   33
CONECT    6    7   34   35
CONECT    7    8   36   37
CONECT    8    9   38   39
CONECT    9   10   40   41
CONECT   10   11   42   43
CONECT   11   12   44   45
CONECT   12   13   46   47
CONECT   13   14   48   49
CONECT   14   15   50   51
CONECT   15   16   52   53
CONECT   16   17   54   55
CONECT   17   18   56   57
CONECT   18   19   58   59
CONECT   19   20   60   61
CONECT   20   21   21   22
CONECT   22   62
END

HMDB0002212
     RDKit          3D
Arachidic acid
 62 61  0  0  0  0  0  0  0  0999 V2000
   -7.0464    0.8161   -2.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0364    2.1911   -1.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5993    2.2758   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.8511   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8183    0.4650   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3564    0.3175    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.0994   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -1.3117    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -1.0470    1.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -1.3262    2.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635   -0.4173    1.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3788   -0.6427    2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945   -2.0481    1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -2.4256    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -1.5044   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0129   -1.6248    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157   -0.8385   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    0.6170   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    1.4073   -1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    2.8723   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370    3.7636   -1.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    3.1469   -0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    0.7364   -3.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9565    0.6641   -3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0920    0.0106   -1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    2.9388   -2.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1171    2.5324   -1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7362    3.3573   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3866    1.7512    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287    2.0365    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810    2.5638   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    0.1257   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3941   -0.2889    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540    0.9978   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3349    0.5855    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -1.3141   -1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -1.7791    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.5331   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -2.3017    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.6937    2.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    0.0032    2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.2140    3.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -2.4087    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.6221    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    0.6593    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.4097    3.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    0.1018    1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988   -2.6949    2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956   -2.2605    2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   -3.4921    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851   -2.4025   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -1.8136   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   -0.5305   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056   -1.3806    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2699   -2.7280   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631   -1.2196   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445   -1.1635   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960    1.0597    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    0.9322   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799    1.2239   -2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866    1.4175   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    3.1154   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 22 62  1  0
M  END

Synonyms

Value	Source
Arachic acid	ChEBI
Arachidinic acid	ChEBI
Arachinsaeure	ChEBI
C20:0	ChEBI
CH3-[CH2]18-COOH	ChEBI
Eicosanoic acid	ChEBI
N-Eicosanoic acid	ChEBI
Arachate	Generator
Arachidinate	Generator
Eicosanoate	Generator
N-Eicosanoate	Generator
Arachidate	Generator
Eicosoic acid	ChEBI, HMDB
Icosanoic acid	ChEBI, HMDB
Eicosoate	Generator, HMDB
Icosanoate	Generator, HMDB
Arachidic acid	HMDB
C 20	HMDB
C20 fatty acid	HMDB
FA(20:0)	HMDB
Peanut acid	HMDB
n-Eicosanic acid	HMDB

Molecular Formula

C₂₀H₄₀O₂

Average Mass

312.5304

Monoisotopic Mass

312.302830524

IUPAC Name

icosanoic acid

Traditional Name

arachidic acid

CAS Registry Number

506-30-9

SMILES

CCCCCCCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChI Key

VKOBVWXKNCXXDE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain fatty acid (CHEBI:28822 )
straight-chain saturated fatty acid (CHEBI:28822 )
Straight chain fatty acids (C06425 )
Saturated fatty acids (C06425 )
Straight chain fatty acids (LMFA01010020 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	5.0e-05 g/L	ALOGPS
logP	8.53	ALOGPS
logP	8.03	ChemAxon
logS	-6.8	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	95.49 m³·mol⁻¹	ChemAxon
Polarizability	42.91 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0159-0900000000-cc7f30812c4ef45583b1	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 TMS)	splash10-0159-2901000000-7d146c5d993118307ce5	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0596-9100000000-53a544b7fbf2ee3b176a	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0159-0900000000-cc7f30812c4ef45583b1	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0159-2901000000-7d146c5d993118307ce5	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-014i-1900000000-33733dae76fd89dc7394	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9450000000-ff95bd6be578f2c72ce9	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0109-9560000000-d2d19ad6d5ef54fdf90a	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-03di-0029000000-273e657da59fa67385c2	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0a4i-9200000000-84b07a6d22109c441336	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0a4i-9100000000-9d6e321e2bf8cd1f20e4	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-03di-0009000000-d7e3408b3b2e854229b0	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-03di-0109000000-c0ed9d28e54855b40069	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0a6r-0013493000-832a78a9cf97d74660ea	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-06vi-0012391000-e4dcf31aba99059fcf39	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0a4i-0193000000-031626259c4a17016165	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0a4i-0091000000-9389b44ea9cfe1afe40b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-03di-0009000000-6bf31eaaa3592667dc53	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-03di-0009000000-32767cc1909515840261	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-03e9-3409000000-c86c0c5c2a80a4d1a6d6	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0009000000-545adcea3fffd230d8c7	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0092000000-c40a8544a31d253f26c6	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0i01-2491000000-60bf2b9a6912f287f6f0	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0zfu-8970000000-fd0569abd03da6142ee2	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0092000000-c40a8544a31d253f26c6	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0i01-2491000000-60bf2b9a6912f287f6f0	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0zfu-8970000000-fd0569abd03da6142ee2	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0049000000-54fd1cf54bdd386d406e	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03xu-1095000000-2584a862e47ea0cb88f2	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9140000000-2caaff4da05fbcb0fdf7	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0049000000-54fd1cf54bdd386d406e	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03xu-1095000000-2584a862e47ea0cb88f2	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9140000000-2caaff4da05fbcb0fdf7	2015-05-27	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0596-9100000000-091619221e36a7a177ff	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)		2012-12-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)		2014-09-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, CDCl₃, experimental)		2014-09-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Blood
Feces
Placenta
Urine

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo sapiens
MMDBp0191732	Calcium-dependent phospholipase A2	Unknown	P39877	Homo sapiens
MMDBp0191733	Group IIF secretory phospholipase A2	Unknown	Q9BZM2	Homo sapiens
MMDBp0191734	Cytosolic phospholipase A2	Unknown	P47712	Homo sapiens
MMDBp0191735	Phospholipase A2	Unknown	P04054	Homo sapiens
MMDBp0191737	Group 10 secretory phospholipase A2	Unknown	O15496	Homo sapiens
MMDBp0191738	Galactoside-binding soluble lectin 13	Enzyme	Q9UHV8	Homo sapiens
MMDBp0191739	Group IIE secretory phospholipase A2	Unknown	Q9NZK7	Homo sapiens
MMDBp0191741	Group XIIA secretory phospholipase A2	Unknown	Q9BZM1	Homo sapiens
MMDBp0191742	85/88 kDa calcium-independent phospholipase A2	Unknown	O60733	Homo sapiens
MMDBp0191744	Eosinophil lysophospholipase	Enzyme	Q05315	Homo sapiens
MMDBp0191745	Phospholipase A2, membrane associated	Unknown	P14555	Homo sapiens
MMDBp0191746	Group IID secretory phospholipase A2	Unknown	Q9UNK4	Homo sapiens
MMDBp0191891	Pancreatic triacylglycerol lipase	Enzyme	P16233	Homo sapiens
MMDBp0191896	Hepatic triacylglycerol lipase	Enzyme	P11150	Homo sapiens
MMDBp0191899	Inactive pancreatic lipase-related protein 1	Enzyme	P54315	Homo sapiens
MMDBp0191902	Patatin-like phospholipase domain-containing protein 3	Enzyme	Q9NST1	Homo sapiens
MMDBp0191906	Gastric triacylglycerol lipase	Enzyme	P07098	Homo sapiens
MMDBp0191909	Endothelial lipase	Enzyme	Q9Y5X9	Homo sapiens
MMDBp0191911	Bile salt-activated lipase	Unknown	P19835	Homo sapiens
MMDBp0191915	Pancreatic lipase-related protein 2	Enzyme	P54317	Homo sapiens
MMDBp0191980	Lipoprotein lipase	Enzyme	P06858	Homo sapiens
MMDBp0192154	Liver carboxylesterase 1	Enzyme	P23141	Homo sapiens
MMDBp0192155	Cocaine esterase	Enzyme	O00748	Homo sapiens
MMDBp0192174	Cholinesterase	Enzyme	P06276	Homo sapiens
MMDBp0192178	Cytosolic phospholipase A2 gamma	Unknown	Q9UP65	Homo sapiens
MMDBp0192180	Hormone-sensitive lipase	Unknown	Q05469	Homo sapiens
MMDBp0192181	Group 3 secretory phospholipase A2	Unknown	Q9NZ20	Homo sapiens
MMDBp0192196	Bile acid-CoA:amino acid N-acyltransferase	Enzyme	Q14032	Homo sapiens
MMDBp0192198	Acylphosphatase-2	Enzyme	P14621	Homo sapiens
MMDBp0192199	Acylphosphatase-1	Enzyme	P07311	Homo sapiens
MMDBp0192200	Aminoacylase-1	Unknown	Q03154	Homo sapiens
MMDBp0192201	Aspartoacylase	Enzyme	P45381	Homo sapiens
MMDBp0192204	Aspartoacylase-2	Enzyme	Q96HD9	Homo sapiens
MMDBp0192655	Cytosolic acyl coenzyme A thioester hydrolase	Enzyme	O00154	Homo sapiens
MMDBp0192656	Acyl-coenzyme A thioesterase 2, mitochondrial	Enzyme	P49753	Homo sapiens
MMDBp0192657	Acyl-coenzyme A thioesterase 4	Enzyme	Q8N9L9	Homo sapiens
MMDBp0192658	Acyl-coenzyme A thioesterase 8	Enzyme	O14734	Homo sapiens
MMDBp0192690	Acid ceramidase	Enzyme	Q13510	Homo sapiens
MMDBp0192975	Homeodomain-interacting protein kinase 1	Enzyme	Q86Z02	Homo sapiens
MMDBp0193442	Peroxisome proliferator-activated receptor gamma	Enzyme	P37231	Homo sapiens
MMDBp0193706	Long-chain fatty acid transport protein 6	Enzyme	Q9Y2P4	Homo sapiens
MMDBp0193832	Long-chain fatty acid transport protein 3	Enzyme	Q5K4L6	Homo sapiens
MMDBp0193848	Patatin-like phospholipase domain-containing protein 4	Enzyme	P41247	Homo sapiens
MMDBp0193856	Long-chain fatty acid transport protein 1	Transporter	Q6PCB7	Homo sapiens
MMDBp0194042	Long-chain fatty acid transport protein 4	Enzyme	Q6P1M0	Homo sapiens
MMDBp0194096	60 kDa lysophospholipase	Enzyme	Q86U10	Homo sapiens
MMDBp0194097	Phospholipase B1, membrane-associated	Unknown	Q6P1J6	Homo sapiens
MMDBp0194141	Patatin-like phospholipase domain-containing protein 2	Enzyme	Q96AD5	Homo sapiens
MMDBp0194634	Cytosolic phospholipase A2 delta	Unknown	Q86XP0	Homo sapiens
MMDBp0194635	Cytosolic phospholipase A2 epsilon	Unknown	Q3MJ16	Homo sapiens
MMDBp0194636	Cytosolic phospholipase A2 zeta	Unknown	Q68DD2	Homo sapiens
MMDBp0194716	Calcium-independent phospholipase A2-gamma	Unknown	Q9NP80	Homo sapiens
MMDBp0195865	Cytosolic phospholipase A2 beta	Unknown	P0C869	Homo sapiens
MMDBp0195879	Putative neutral ceramidase C	Enzyme	P0C7U2	Homo sapiens
MMDBp0195880	Alkaline ceramidase 2	Enzyme	Q5QJU3	Homo sapiens
MMDBp0195881	Neutral ceramidase	Enzyme	Q9NR71	Homo sapiens
MMDBp0196170	Carboxylesterase 5A	Enzyme	Q6NT32	Homo sapiens
MMDBp0196227	Alkaline ceramidase 1	Enzyme	Q8TDN7	Homo sapiens
MMDBp0196265	Neuropathy target esterase	Enzyme	Q8IY17	Homo sapiens
MMDBp0196452	Pancreatic lipase-related protein 3	Enzyme	Q17RR3	Homo sapiens
MMDBp0196516	Acyl-coenzyme A thioesterase 1	Enzyme	Q86TX2	Homo sapiens
MMDBp0196526	Carnitine palmitoyltransferase 1B isoform a variant	Enzyme	Q53FV7	Homo sapiens
MMDBp0196527	Carboxylesterase 3	Enzyme	Q6UWW8	Homo sapiens
MMDBp0191673	CREB3L2-PPARgamma	Enzyme	Q86WD1	Escherichia coli
MMDBp0196546	ADFP protein	Unknown	Q6FHZ7	Homo sapiens
MMDBp0196547	Peroxisome proliferator activated-receptor gamma	Unknown	Q9UEF6	Homo sapiens
MMDBp0196548	Peroxisome proliferative activated receptor gamma isoform 2 variant	Unknown	Q53EW1	Homo sapiens
MMDBp0196549	CPT1B protein	Unknown	A2RRE8	Homo sapiens
MMDBp0196550	Peroxisome proliferator-activated receptor	Unknown	Q6L9M1	Homo sapiens
MMDBp0196551	CPT1B protein	Unknown	A5PLL0	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001113	Arachidic acid	Eicosanoyl-CoA	Not Available	VMH	15292367
MMDBr0003855	Eicosanoyl-CoA	Arachidic acid	Not Available	VMH	10092594 10578051 16103133 16940157 9153233
MMDBr0003856	Eicosanoyl-CoA	Arachidic acid	acyl-CoA thioesterase 2	VMH	10092594 10578051 16103133 16940157 9153233
MMDBr0003857	Eicosanoyl-CoA	Arachidic acid	acyl-CoA thioesterase 4	VMH	10092594 10578051 16103133 16940157 9153233
MMDBr0009977	Arachidic acid	Eicosanoyl-CoA	Not Available	VMH	30371894
MMDBr0010209	Cholest-5-En-3Beta-Yl Eicosanoate	Arachidic acid	carboxyl ester lipase	VMH; KEGG	30371894
MMDBr0010247	Cholest-5-En-3Beta-Yl Eicosanoate	Arachidic acid	carboxyl ester lipase	VMH; KEGG	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	9	Human ; Human feces; Human saliva; Human mucosa	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	7	Human feces; Human sputum	Metabolic reconstruction
Bacteria	Bacteroidetes	14	Human feces; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	3	Human feces; Human	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Peprilus triacanthus	FooDB	Manually Annotated
Animal		Sebastes alutus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Pleuronectidae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Sander lucioperca	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Neck	Domestic pig	FooDB	DTU
Animal		Salmo salar	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Thunnus albacares	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Astacidea	FooDB	DTU
Animal	Heart	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Rib	Domestic pig	FooDB	DTU
Animal		Gadiformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Myoxocephalus	FooDB	Manually Annotated
Animal	Meat	Turkey	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Thymus	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus nerka	FooDB	34893796
Animal	Fat	Sus scrofa domestica	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Clupeinae	FooDB	DTU
Animal		Microstomus kitt	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Anas platyrhynchos	FooDB	DTU
Animal		Mytilidae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Leg meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Eucheuma	FooDB	Manually Annotated
Animal	Meat	Cattle	FooDB	34893796
Animal		Mountain hare	FooDB	DTU
Animal	Meat	Rock ptarmigan	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Hippoglossus hippoglossus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Squalus acanthias	FooDB	DTU
Animal	Kidney	Cattle	FooDB	34893796
Animal	Heart	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Kidney	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Leg	Ranidae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Octopus vulgaris	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Oil	Melanogrammus aeglefinus	FooDB	DTU
Animal	Tripe	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Sebastes viviparus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Hand with rind	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Oil	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal		Oncorhynchus nerka	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Abramis brama	FooDB	DTU
Animal		Clupeinae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Anser sp.	FooDB	DTU
Animal		Microstomus kitt	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Pleuronectiformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Spirulina	FooDB	Manually Annotated
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Cichlidae	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Anarhichas lupus	FooDB	DTU
Animal		Porphyra umbilicalis	FooDB	Manually Annotated
Animal	Heart	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Tongue	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Stenodus leucichthys	FooDB	34893796
Animal	Liver	Cattle	FooDB	DTU
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Scombridae	FooDB	DTU
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat		FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Melanogrammus aeglefinus	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Tongue	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Hand	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus keta	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Homo sapiens	FooDB	DTU
Animal	Brain	Cattle	FooDB	34893796
Animal	Fllet	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	DTU
Animal	Fat	Cattle	FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Salmonidae	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Fat	Anser sp.	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Tongue	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Heart	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Nephropidae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Fillet	Molva molva	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	34893796
Animal	Liver		FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Cichlidae	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Heart	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Hoplostethus atlanticus	FooDB	34893796
Animal		Pollachius	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Chondrus crispus	FooDB	Manually Annotated
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal		Pectinidae	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Hand	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal		Trisopterus esmarkii	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus tshawytscha	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Liver	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Reinhardtius hippoglossoides	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Homo sapiens	FooDB	DTU
Animal		Esox lucius	FooDB	DTU
Animal	Tripe	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Belone belone	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Salmonidae	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	M.J. Abarghuei, Y. Rouzbehan, A.Z.M Salem, M.J. Zamiri. Nitrogen balance, blood metabolites and milk fatty acid composition of dairy cows fed pomegranate-peel extract. Livestock Science (2014) 164:72-80 doi: 10.1016/j.livsci.2014.03.021
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	M.J. Abarghuei, Y. Rouzbehan, A.Z.M Salem, M.J. Zamiri. Nitrogen balance, blood metabolites and milk fatty acid composition of dairy cows fed pomegranate-peel extract. Livestock Science (2014) 164:72-80 doi: 10.1016/j.livsci.2014.03.021
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Leg	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	M.J. Abarghuei, Y. Rouzbehan, A.Z.M Salem, M.J. Zamiri. Nitrogen balance, blood metabolites and milk fatty acid composition of dairy cows fed pomegranate-peel extract. Livestock Science (2014) 164:72-80 doi: 10.1016/j.livsci.2014.03.021
Animal		Gastropoda	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	M.J. Abarghuei, Y. Rouzbehan, A.Z.M Salem, M.J. Zamiri. Nitrogen balance, blood metabolites and milk fatty acid composition of dairy cows fed pomegranate-peel extract. Livestock Science (2014) 164:72-80 doi: 10.1016/j.livsci.2014.03.021
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Merlangius merlangus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Kidney	Cattle	FooDB	34893796
Animal		Crassostrea virginica	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Limanda limanda	FooDB	DTU
Animal		Oncorhynchus keta	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Pigeon	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Nephropidae	FooDB	DTU
Animal	Liver		FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Heart	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Coregonus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Shoulder	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Scophthalmus maximus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Turkey	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Anguilliformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Pollachius	FooDB	DTU
Animal	Liver	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Laminaria	FooDB	Manually Annotated
Animal	Hand	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Capra aegagrus hircus	FooDB	DTU
Animal		Caridea	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Liver	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Eucheuma	FooDB	DTU
Animal	Liver	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal		Reinhardtius hippoglossoides	FooDB	DTU
Animal		Chicken	FooDB	DTU
Animal	Meat and skin		FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Homo sapiens	FooDB	DTU
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal		Salvelinus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Brachyura	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Acipenseridae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	DTU
Animal		Oncorhynchus tshawytscha	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Hippoglossus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Micromesistius poutassou	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Thunnus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal		Ictalurus punctatus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus kisutch	FooDB	34893796
Animal	Fillet	Siluriformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Pigeon	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Perciformes	FooDB	DTU
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Coregonus	FooDB	34893796
Animal		Nephrops norvegicus	FooDB	DTU
Animal	Thymus	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Neck	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Turkey	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Clupeinae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Pollachius	FooDB	DTU
Animal		Saccharina japonica	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Kidney	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Domestic pig	FooDB	DTU
Animal	Hind leg without rind	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Caridea	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat and skin		FooDB	DTU
Animal	Leg	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Cyclopteridae	FooDB	DTU
Animal	Roe	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Salvelinus namaycush	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Brachyura	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Acipenseridae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Haliotis	FooDB	Manually Annotated
Animal		Strombidae	FooDB	Manually Annotated
Animal	Meat	Sheep	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Hippoglossus	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Fat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Lota lota	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Ictalurus punctatus	FooDB	34893796
Animal	Thymus	Sheep	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal		Clupea harengus harengus	FooDB	Manually Annotated
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal		Coregonus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Brain	Cattle	FooDB	34893796
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Turkey	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	34893796
Animal	Fat	Sus scrofa	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Mytilidae	FooDB	DTU
Animal		Clupeinae	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Fat	Cattle	FooDB	DTU
Animal	Thymus	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Leg with knuckle	Domestic pig	FooDB	DTU
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Undaria pinnatifida	FooDB	Manually Annotated
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Oncorhynchus mykiss	FooDB	DTU
Animal		Osmeridae	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Kidney	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food	Coffee	Coffea arabica	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food		Coffea arabica	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food	Coffee	Coffea canephora	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food		Coffea canephora	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food			FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Plant		Lippia graveolens	FooDB	Manually Annotated
Plant		Allium	FooDB	DTU
Plant		Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant		Armoracia rusticana	FooDB	DTU
Plant	Seed	Ficus carica	FooDB	DUKE
Plant	Seed	Daucus carota	FooDB	DUKE
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Seed	Arachis hypogaea	FooDB	DUKE
Plant		Capparis spinosa	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	DTU
Plant	Seed	Vigna angularis	FooDB	DTU
Plant	Seed	Phoenix dactylifera	FooDB	DUKE
Plant		Vaccinium deliciosum	FooDB	Manually Annotated
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant	Seed	Medicago sativa	FooDB	DTU
Plant	Fruit	Ananas comosus	FooDB	DTU
Plant	Oil	Cocos nucifera	FooDB	DTU
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	DTU
Plant		Prunus virginiana	FooDB	Manually Annotated
Plant	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Fruit	Prunus persica	FooDB	DTU
Plant		Phaseolus lunatus	FooDB	Manually Annotated
Plant	Seed	Foeniculum vulgare	FooDB	DTU
Plant	Flower	Sambucus nigra	FooDB	DUKE
Plant	Nut	Pinus	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant		Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Root	Raphanus sativus var. longipinnatus	FooDB	DTU
Plant	Fruit	Vaccinium vitis-idaea	FooDB	DTU
Plant		Carissa macrocarpa	FooDB	Manually Annotated
Plant		Lagenaria siceraria	FooDB	Manually Annotated
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Brassica oleracea	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant		Satureja hortensis	FooDB	Manually Annotated
Plant	Fruit	Sambucus	FooDB	DTU
Plant		Cantharellus cibarius	FooDB	DTU
Plant		Sorbus aucuparia	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant		Spinacia oleracea	FooDB	DTU
Plant	Nut	Corylus	FooDB	DTU
Plant		Carum carvi	FooDB	Manually Annotated
Plant		Brassica oleracea var. costata	FooDB	Manually Annotated
Plant		Scorzonera hispanica	FooDB	DTU
Plant		Panax	FooDB	Manually Annotated
Plant		Nelumbo nucifera	FooDB	Manually Annotated
Plant	Seed	Cucurbita maxima	FooDB	34893796
Plant		Ipomoea batatas	FooDB	DTU
Plant	Oil	Helianthus annuus	FooDB	DTU
Plant	Seed	Phaseolus vulgaris	FooDB	DTU
Plant	Seed oil	Vitis	FooDB	DTU
Plant		Manihot esculenta	FooDB	DTU
Plant		Ceratonia siliqua	FooDB	Manually Annotated
Plant		Vigna umbellata	FooDB	Manually Annotated
Plant		Luffa aegyptiaca	FooDB	Manually Annotated
Plant		Rubus occidentalis	FooDB	Manually Annotated
Plant		Allium fistulosum	FooDB	Manually Annotated
Plant		Capsicum	FooDB	Manually Annotated
Plant	Seed	Glycine max	FooDB	DTU
Plant		Lupinus	FooDB	Manually Annotated
Plant		Vaccinium alaskaense	FooDB	Manually Annotated
Plant		Lactuca sativa	FooDB	DTU
Plant		Durio zibethinus	FooDB	Manually Annotated
Plant	Seed	Sesamum orientale	FooDB	DUKE
Plant	Fruit	Ficus carica	FooDB	DTU
Plant		Ribes glandulosum	FooDB	Manually Annotated
Plant	Seed	Sinapis alba	FooDB	DUKE
Plant	Fruit	Actinidia chinensis	FooDB	DTU
Plant		Verbena officinalis	FooDB	Manually Annotated
Plant		Oenothera biennis	FooDB	Manually Annotated
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant	Fruit	Passiflora edulis	FooDB	DTU
Plant		Musa x paradisiaca	FooDB	DTU
Plant		Vaccinium oxycoccos	FooDB	Manually Annotated
Plant	Seed	Punica granatum	FooDB	DUKE
Plant		Diospyros kaki	FooDB	Manually Annotated
Plant		Allium	FooDB	DTU
Plant	Seed	Moringa oleifera	FooDB	DUKE
Plant		Lens culinaris	FooDB	DTU
Plant		Virola surinamensis	FooDB	Manually Annotated
Plant	Leaves	Apium graveolens var. secalinum	FooDB	DTU
Plant		Aloysia triphylla	FooDB	Manually Annotated
Plant	Fruit	Citrus x paradisi	FooDB	DTU
Plant		Vaccinium parvifolium	FooDB	Manually Annotated
Plant		Capsicum chinense	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant		Arachis hypogaea	FooDB	24285751
Plant		Pyrus pyrifolia	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant		Pisum sativum	FooDB	DTU
Plant		Abelmoschus esculentus	FooDB	DTU
Plant	Nut	Arachis hypogaea	FooDB	DTU
Plant	Seed	Medicago sativa	FooDB	DTU
Plant		Vaccinium reticulatum	FooDB	Manually Annotated
Plant		Solanum quitoense	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	DTU
Plant		Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant	Root	Daucus carota ssp. sativus	FooDB	DTU
Plant		Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant	Fruit	Phoenix dactylifera	FooDB	DTU
Plant		Theobroma grandiflorum	FooDB	Manually Annotated
Plant	Root	Zingiber officinale	FooDB	DTU
Plant	Fruit	Mangifera indica	FooDB	DTU
Plant	Leaves		FooDB	DTU
Plant		Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant	Fruit	Prunus persica	FooDB	DTU
Plant		Satureja montana	FooDB	Manually Annotated
Plant		Perideridia oregana	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Vaccinium arboreum	FooDB	Manually Annotated
Plant	Juice	Citrus limon	FooDB	DTU
Plant	Seed	Prunus domestica	FooDB	DUKE
Plant	Seed	Phaseolus vulgaris	FooDB	34893796
Plant	Root	Raphanus sativus var. longipinnatus	FooDB	DTU
Plant		Wasabia japonica	FooDB	Manually Annotated
Plant		Origanum onites	FooDB	Manually Annotated
Plant		Cynara scolymus	FooDB	DTU
Plant		Carica papaya	FooDB	DTU
Plant	Fruit	Malus	FooDB	DTU
Plant		Rorippa nasturtium-aquaticum	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant		Brassica oleracea	FooDB	DTU
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Prunus avium	FooDB	Manually Annotated
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant		Viburnum edule	FooDB	Manually Annotated
Plant	Oil	Juglans	FooDB	DTU
Plant		Petroselinum crispum	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Fruit	Ribes nigrum	FooDB	DTU
Plant		Pastinaca sativa	FooDB	DTU
Plant		Vaccinium uliginosum	FooDB	Manually Annotated
Plant	Leaves		FooDB	DTU
Plant	Fruit	Vitis	FooDB	DTU
Plant		Lepidium sativum	FooDB	DTU
Plant	Seed	Helianthus annuus	FooDB	DTU
Plant	Fruit	Cucurbita maxima	FooDB	DTU
Plant		Momordica charantia	FooDB	Manually Annotated
Plant		Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant		Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant		Prunus persica var. persica	FooDB	Manually Annotated
Plant	Root	Beta vulgaris var. rubra	FooDB	DTU
Plant	Seed	Solanum melongena	FooDB	DUKE
Plant	Sprout	Glycine max	FooDB	DTU
Plant	Flour	Glycine max	FooDB	34893796
Plant		Colocasia esculenta	FooDB	Manually Annotated
Plant	Fruit	Cucumis sativus	FooDB	DTU
Plant		Lactuca sativa	FooDB	DTU
Plant		Anethum graveolens	FooDB	DTU
Plant		Dysphania ambrosioides	FooDB	Manually Annotated
Plant	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Juice	Prunus	FooDB	DTU
Plant		Lupinus albus	FooDB	Manually Annotated
Plant		Raphanus sativus var. niger	FooDB	Manually Annotated
Plant		Photinia melanocarpa	FooDB	Manually Annotated
Plant		Brassica oleracea var. gongylodes	FooDB	DTU
Plant		Agaricus bisporus	FooDB	DTU
Plant		Lens culinaris	FooDB	34893796
Plant	Seed	Gossypium	FooDB	DUKE
Plant	Oil	Sesamum orientale	FooDB	DTU
Plant		Syzygium jambos	FooDB	Manually Annotated
Plant	Seed	Trigonella foenum-graecum	FooDB	DUKE
Plant		Crocus sativus	FooDB	Manually Annotated
Plant		Salix pulchra	FooDB	Manually Annotated
Plant		Lablab purpureus	FooDB	Manually Annotated
Plant		Fagus	FooDB	Manually Annotated
Plant		Citrus maxima	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	DTU
Plant		Allium	FooDB	DTU
Plant		Castanea sativa	FooDB	Manually Annotated
Plant		Vaccinium ovatum	FooDB	Manually Annotated
Plant		Salvia officinalis	FooDB	Manually Annotated
Plant	Fruit	Citrus aurantiifolia	FooDB	DTU
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant		Opuntia cochenillifera	FooDB	Manually Annotated
Plant		Annona muricata	FooDB	Manually Annotated
Plant		Thymus pulegioides	FooDB	Manually Annotated
Plant	Flour	Solanum tuberosum	FooDB	DTU
Plant		Mespilus germanica	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	DTU
Plant	Seed	Pisum sativum	FooDB	DUKE
Plant	Root	Foeniculum vulgare	FooDB	DTU
Plant		Helianthus tuberosus	FooDB	DTU
Plant	Root	Armoracia rusticana	FooDB	DTU
Plant		Phaseolus coccineus	FooDB	Manually Annotated
Plant		Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant	Leaves		FooDB	DTU
Plant		Mentha aquatica	FooDB	Manually Annotated
Plant	Peel	Citrus limon	FooDB	DTU
Plant		Salvia elegans	FooDB	Manually Annotated
Plant		Mentha	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	DTU
Plant		Sagittaria latifolia	FooDB	Manually Annotated
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant	Fruit	Litchi chinensis	FooDB	DTU
Plant		Syzygium cumini	FooDB	Manually Annotated
Plant	Fruit	Ficus carica	FooDB	DTU
Plant	Seed	Lepidium sativum	FooDB	DUKE
Plant	Oil	Linum usitatissimum	FooDB	DTU
Plant		Typha angustifolia	FooDB	Manually Annotated
Plant	Powder	Rosa	FooDB	DTU
Plant		Empetrum nigrum	FooDB	Manually Annotated
Plant	Fruit	Solanum melongena	FooDB	DTU
Plant		Myrica rubra	FooDB	Manually Annotated
Plant		Brassica oleracea var. sabauda	FooDB	DTU
Plant		Tilia tomentosa	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	34893796
Plant		Valerianella locusta	FooDB	Manually Annotated
Plant	Fruit	Physalis	FooDB	DTU
Plant		Eragrostis tef	FooDB	34893796
Plant	Seed oil	Juglans nigra	FooDB	DUKE
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant		Sisymbrium	FooDB	Manually Annotated
Plant	Seed	Prunus cerasus	FooDB	DUKE
Plant	Seed	Coriandrum sativum	FooDB	DTU
Plant		Vanilla	FooDB	Manually Annotated
Plant	Fruit	Punica granatum	FooDB	DTU
Plant		Carya	FooDB	Manually Annotated
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant		Brassica napus	FooDB	DTU
Plant		Borago officinalis	FooDB	Manually Annotated
Plant		Amaranthus	FooDB	34893796
Plant		Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant	Oil	Gossypium	FooDB	DTU
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant	Nut	Pistacia vera	FooDB	DTU
Plant		Angelica keiskei	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Fruit	Persea americana	FooDB	DTU
Plant		Hyssopus officinalis	FooDB	Manually Annotated
Plant		Allium sativum l. var. sativum	FooDB	Manually Annotated
Plant	Juice	Prunus	FooDB	DTU
Plant	Fruit	Diospyros	FooDB	DTU
Plant		Ipomoea aquatica	FooDB	Manually Annotated
Plant	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Fruit	Prunus domestica	FooDB	DTU
Plant		Rubus spectabilis	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	DTU
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Fruit	Malus pumila	FooDB	DTU
Plant		Allium ampeloprasum	FooDB	DTU
Plant	Oil	Carthamus tinctorius	FooDB	DTU
Plant		Cuminum cyminum	FooDB	Manually Annotated
Plant		Lactuca sativa	FooDB	DTU
Plant	Fruit	Prunus armeniaca	FooDB	DTU
Plant	Fruit	Sechium edule	FooDB	DTU
Plant	Nut	Carya illinoinensis	FooDB	DTU
Plant		Brassica rapa var. rapa	FooDB	DTU
Plant	Fruit	Ananas comosus	FooDB	DTU
Plant	Fruit	Piper nigrum	FooDB	DUKE
Plant	Fruit	Rubus x loganobaccus	FooDB	DTU
Plant		Solanum tuberosum	FooDB	DTU
Plant		Morus nigra	FooDB	Manually Annotated
Plant	Fruit	Citrus sinensis	FooDB	DTU
Plant	Root	Daucus carota ssp. sativus	FooDB	DTU
Plant		Pinus edulis	FooDB	Manually Annotated
Plant		Rubus idaeus	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	DTU
Plant		Opuntia macrorhiza	FooDB	Manually Annotated
Plant	Plant	Annona squamosa	FooDB	DUKE
Plant		Citrus paradisi x citrus maxima	FooDB	Manually Annotated
Plant	Bean sprout	Vigna radiata	FooDB	DTU
Plant		Manilkara zapota	FooDB	Manually Annotated
Plant		Allium cepa	FooDB	Manually Annotated
Plant	Seed	Cucurbita maxima	FooDB	DUKE
Plant	Shoot	Apium graveolens var. rapaceum	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant	Fruit	Olea europaea	FooDB	DUKE
Plant		Chenopodium quinoa	FooDB	34893796
Plant		Brassica rapa var. chinensis	FooDB	DTU
Plant	Seed	Linum usitatissimum	FooDB	DTU
Plant	Fruit	Rosa	FooDB	DTU
Plant		Illicium verum	FooDB	Manually Annotated
Plant	Seed	Vigna unguiculata ssp. unguiculata	FooDB	DUKE
Plant	Fruit	Capsicum annuum	FooDB	All-Creatures
Plant		Mentha spicata	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Auricularia auricula-judae	FooDB	Manually Annotated
Plant		Lens culinaris	FooDB	DTU
Plant	Seed oil	Elettaria cardamomum	FooDB	DUKE
Plant		Chamaemelum nobile	FooDB	Manually Annotated
Plant	Seed	Macadamia	FooDB	DUKE
Plant	Fruit	Cucurbita	FooDB	DTU
Plant		Juglans ailanthifolia	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	34893796
Plant		Attalea speciosa	FooDB	Manually Annotated
Plant	Seed	Pisum sativum	FooDB	DTU
Plant	Fruit	Capsicum annuum var. annuum	FooDB	DUKE
Plant	Seed	Sesamum orientale	FooDB	DTU
Plant		Laurus nobilis	FooDB	Manually Annotated
Plant		Polygonum alpinum	FooDB	Manually Annotated
Plant		Hippophae rhamnoides	FooDB	Manually Annotated
Plant	Nut	Bertholletia excelsa	FooDB	DTU
Plant	Fruit	Citrus limon	FooDB	DTU
Plant		Pediomelum esculentum	FooDB	Manually Annotated
Plant		Melissa officinalis	FooDB	Manually Annotated
Plant	Juice	Vitis	FooDB	DTU
Plant		Auricularia polytricha	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant		Brassica oleracea var. italica	FooDB	DTU
Plant	Leaves	Taraxacum officinale	FooDB	DTU
Plant		Brassica juncea	FooDB	Manually Annotated
Plant		Camellia oleifera	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant		Chrysanthemum coronarium	FooDB	Manually Annotated
Plant		Eleocharis dulcis	FooDB	Manually Annotated
Plant	Fruit	Prunus	FooDB	DTU
Plant		Anethum graveolens	FooDB	DTU
Plant		Brassica rapa	FooDB	DTU
Plant	Oil	Arachis hypogaea	FooDB	DTU
Plant		Vaccinium corymbosum	FooDB	Manually Annotated
Plant	Fruit	Citrus reticulata	FooDB	DTU
Plant	Oil	Brassica napus var. napus	FooDB	DTU
Plant		Rubus arcticus	FooDB	Manually Annotated
Plant		Thymus vulgaris	FooDB	Manually Annotated
Plant	Fruit	Malus pumila	FooDB	DTU
Plant	Oil	Carthamus tinctorius	FooDB	DTU
Plant		Pimenta dioica	FooDB	Manually Annotated
Plant		Rumex articus	FooDB	Manually Annotated
Plant		Canarium ovatum	FooDB	Manually Annotated
Plant	Oil	Cocos nucifera	FooDB	DTU
Plant		Ribes aureum var. villosum	FooDB	Manually Annotated
Plant		Cajanus cajan	FooDB	Manually Annotated
Plant	Fruit	Prunus armeniaca	FooDB	DTU
Plant		Hibiscus sabdariffa	FooDB	Manually Annotated
Plant	Leaves	Coriandrum sativum	FooDB	DTU
Plant		Benincasa hispida	FooDB	Manually Annotated
Plant	Seed	Eriobotrya japonica	FooDB	DUKE
Plant		Vigna mungo	FooDB	Manually Annotated
Plant	Plant	Theobroma cacao	FooDB	DUKE
Plant		Origanum majorana	FooDB	Manually Annotated
Plant		Juglans nigra	FooDB	DTU
Plant	Seed	Cucurbita pepo var. clypeata	FooDB	34893796
Plant		Solanum tuberosum	FooDB	DTU
Plant	Juice	Ribes nigrum	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	34893796
Plant		Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant		Juglans cinerea	FooDB	Manually Annotated
Plant	Seed	Papaver	FooDB	DTU
Plant	Seed	Vigna radiata	FooDB	DTU
Plant	Oil	Linum usitatissimum	FooDB	34893796
Plant		Arctium lappa	FooDB	Manually Annotated
Plant		Metroxylon sagu	FooDB	Manually Annotated
Plant		Artocarpus altilis	FooDB	Manually Annotated
Plant		Vaccinium macrocarpon	FooDB	Manually Annotated
Plant		Vitis rotundifolia	FooDB	Manually Annotated
Plant		Allium ampeloprasum	FooDB	Manually Annotated
Plant		Psidium cattleianum	FooDB	Manually Annotated
Plant		Cyathea	FooDB	Manually Annotated
Plant	Fruit	Prunus domestica	FooDB	DTU
Plant		Vigna unguiculata	FooDB	Manually Annotated
Plant		Brosimum alicastrum	FooDB	Manually Annotated
Plant	Leaves	Camellia sinensis	FooDB	DTU
Plant		Castanea mollissima	FooDB	Manually Annotated
Plant	Fruit	Prunus persica var. nucipersica	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant		Annona cherimola	FooDB	DTU
Plant	Flour	Glycine max	FooDB	DTU
Plant		Morus	FooDB	Manually Annotated
Plant		Cichorium intybus var. foliosum	FooDB	Manually Annotated
Plant	Cotyledon	Cucumis melo	FooDB	DUKE
Plant		Vitis labrusca	FooDB	Manually Annotated
Plant		Lens culinaris	FooDB	DTU
Plant		Phytolacca americana	FooDB	Manually Annotated
Plant		Cichorium endivia	FooDB	DTU
Plant		Cucumis metuliferus	FooDB	Manually Annotated
Plant		Myrica	FooDB	Manually Annotated
Plant	Seed	Daucus carota ssp. sativus	FooDB	DUKE
Plant		Nephelium lappaceum	FooDB	Manually Annotated
Plant		Tetragonia tetragonioides	FooDB	Manually Annotated
Plant		Artemisia vulgaris	FooDB	Manually Annotated
Plant	Fruit	Citrullus lanatus	FooDB	DTU
Plant		Castanea crenata	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	34893796
Plant	Seed	Sesamum orientale	FooDB	DTU
Plant	Seed	Pisum sativum	FooDB	DTU
Plant	Juice	Fragaria x ananassa	FooDB	DTU
Plant		Quercus	FooDB	Manually Annotated
Plant		Corylus avellana	FooDB	Manually Annotated
Plant		Vaccinium angustifolium	FooDB	Manually Annotated
Plant	Fruit	Vitis	FooDB	DTU
Plant	Shoot	Phyllostachys edulis	FooDB	DTU
Plant		Malpighia emarginata	FooDB	Manually Annotated
Plant		Thelesperma	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Oil	Elaeis	FooDB	DTU
Plant		Allium schoenoprasum	FooDB	DTU
Plant		Chamerion angustifolium	FooDB	Manually Annotated
Plant	Flower	Carica papaya	FooDB	DUKE
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Oil	Brassica napus var. napus	FooDB	DTU
Plant		Vaccinium elliottii	FooDB	Manually Annotated
Plant		Anthriscus cerefolium	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant		Tilia cordata	FooDB	24285751
Plant		Levisticum officinale	FooDB	Manually Annotated
Plant		Ziziphus zizyphus	FooDB	Manually Annotated
Plant	Juice	Sambucus	FooDB	DTU
Plant		Dimocarpus longan	FooDB	Manually Annotated
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant	Pollen or spore	Ginkgo biloba	FooDB	DUKE
Plant		Brassica napus var. pabularia	FooDB	DTU
Plant		Eriobotrya japonica	FooDB	DTU
Plant		Cynara cardunculus	FooDB	Manually Annotated
Plant		Pangium edule	FooDB	Manually Annotated
Plant		Matricaria recutita	FooDB	Manually Annotated
Plant	Fruit	Malus pumila	FooDB	DTU
Plant		Rheum rhabarbarum	FooDB	DTU
Plant		Pimpinella anisum	FooDB	Manually Annotated
Plant		Artemisia dracunculus	FooDB	Manually Annotated
Plant		Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant	Fruit	Averrhoa carambola	FooDB	DTU
Plant		Agave	FooDB	Manually Annotated
Plant	Leaves	Coriandrum sativum	FooDB	DTU
Plant		Hedysarum alpinum	FooDB	Manually Annotated
Plant		Vitellaria paradoxa	FooDB	Manually Annotated
Plant	Seed oil	Allium cepa	FooDB	DUKE
Plant	Powder	Allium sativum	FooDB	DTU
Plant	Fruit	Cocos nucifera	FooDB	DTU
Plant		Vigna aconitifolia	FooDB	Manually Annotated
Plant	Fruit	Vaccinium	FooDB	DTU
Plant	Bean sprout	Phaseolus vulgaris	FooDB	DTU
Plant	Seed	Cicer arietinum	FooDB	DTU
Plant		Solanum tuberosum	FooDB	DTU
Plant		Mammea americana	FooDB	Manually Annotated
Plant	Juice	Ribes nigrum	FooDB	DTU
Plant		Brassica alboglabra	FooDB	Manually Annotated
Plant		Apium graveolens var. dulce	FooDB	Manually Annotated
Plant		Beta vulgaris	FooDB	Manually Annotated
Plant		Rumex acetosa	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. clypeata	FooDB	DTU
Plant		Basella alba	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	DTU
Plant		Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant		Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Seed	Vigna radiata	FooDB	DUKE
Plant		Citrus latifolia	FooDB	Manually Annotated
Plant		Piper nigrum	FooDB	DTU
Plant		Byrsonima crassifolia	FooDB	Manually Annotated
Plant		Capsicum pubescens	FooDB	Manually Annotated
Plant	Oil	Glycine max	FooDB	DTU
Plant		Crateva religiosa	FooDB	Manually Annotated
Plant		Spinacia oleracea	FooDB	DTU
Plant		Vitis aestivalis	FooDB	Manually Annotated
Plant		Eugenia javanica	FooDB	Manually Annotated
Plant	Fruit	Vaccinium myrtillus	FooDB	DTU
Plant		Citrus japonica	FooDB	DTU
Plant	Seed	Tamarindus indica	FooDB	DUKE
Plant		Mentha arvensis	FooDB	Manually Annotated
Plant	Fruit	Citrus sinensis	FooDB	DTU
Plant		Vaccinium stamineum	FooDB	Manually Annotated
Plant	Seed	Cucumis melo	FooDB	DUKE
Plant	Seed	Pachyrhizus erosus	FooDB	DUKE
Plant	Seed	Carthamus tinctorius	FooDB	DUKE
Plant	Nut	Castanea	FooDB	DTU
Plant		Cichorium endivia	FooDB	DTU
Plant		Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant	Fruit	Opuntia	FooDB	DTU
Plant		Portulaca oleracea	FooDB	Manually Annotated
Plant		Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant		Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant		Chenopodium album	FooDB	Manually Annotated
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant		Cinnamomum	FooDB	DTU
Plant		Diospyros virginiana	FooDB	Manually Annotated
Plant		Origanum x majoricum	FooDB	Manually Annotated
Plant	Juice	Fragaria x ananassa	FooDB	DTU
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	34893796
Plant	Seed	Pisum sativum	FooDB	DTU
Plant		Rumex	FooDB	Manually Annotated
Plant		Tragopogon porrifolius	FooDB	Manually Annotated
Plant		Allium ascalonicum	FooDB	Manually Annotated
Plant		Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Root	Petroselinum crispum	FooDB	DTU
Plant		Rubus chamaemorus	FooDB	Manually Annotated
Plant		Eugenia uniflora	FooDB	Manually Annotated
Plant	Oil	Olea europaea	FooDB	DTU
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Tuber	Dioscorea	FooDB	DTU
Plant		Annona reticulata	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	DTU
Plant		Curcuma longa	FooDB	Manually Annotated
Plant	Fruit	Cucurbita	FooDB	DTU
Plant		Sesbania bispinosa	FooDB	Manually Annotated
Plant		Anthriscus cerefolium	FooDB	DTU
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Myristica fragrans	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant		Ribes x nidigrolaria	FooDB	Manually Annotated
Plant	Oil	Cirsium	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DUKE
Plant	Juice	Sambucus	FooDB	DTU
Plant	Flour	Glycine max	FooDB	34893796
Plant		Garcinia mangostana	FooDB	Manually Annotated
Plant	Fruit	Cucumis sativus	FooDB	DTU
Plant		Dioscorea pentaphylla	FooDB	Manually Annotated
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant		Allium tuberosum	FooDB	Manually Annotated
Plant		Lathyrus sativus	FooDB	Manually Annotated
Plant	Seed	Coffea arabica	FooDB	DUKE
Plant		Corchorus olitorius	FooDB	Manually Annotated
Plant	Seed	Nuphar lutea	FooDB	34893796
Plant		Lactuca sativa	FooDB	DTU
Plant		Gaylussacia baccata	FooDB	Manually Annotated
Plant	Fruit	Cydonia oblonga	FooDB	DTU
Plant		Petasites japonicus	FooDB	Manually Annotated
Plant	Leaves	Solanum tuberosum	FooDB	DUKE
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Fruit	Vaccinium	FooDB	DTU
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant		Maranta arundinacea	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant		Matteuccia struthiopteris	FooDB	Manually Annotated
Plant	Fruit	Ribes nigrum	FooDB	DTU
Plant	Fruit	Pyrus communis	FooDB	DTU
Plant		Mentha x piperita	FooDB	Manually Annotated
Plant		Glycine max	FooDB	DTU
Plant	Fruit	Tamarindus indica	FooDB	DTU
Plant		Pleurotus ostreatus	FooDB	DTU
Plant		Apium graveolens	FooDB	DTU
Plant		Cucurbita moschata	FooDB	Manually Annotated
Plant		Vaccinium myrtilloides	FooDB	Manually Annotated
Plant		Cinnamomum verum	FooDB	Manually Annotated
Plant		Tilia	FooDB	Manually Annotated
Plant		Prunus dulcis	FooDB	DTU
Plant	Fruit	Psidium guajava	FooDB	DTU
Plant		Nelumbo	FooDB	Manually Annotated
Plant		Rheum rhabarbarum	FooDB	DTU
Plant		Brassica oleracea var. conica	FooDB	Manually Annotated
Plant	Fruit	Ribes uva-crispa	FooDB	DTU
Plant	Oil	Elaeis	FooDB	DTU
Plant	Seed	Passiflora edulis	FooDB	DUKE
Plant		Lens culinaris	FooDB	DTU

Source Type	Activity	Data Source	Reference
General Exposome	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	3.2		uM	Adult (>18 years old)	Male	Normal	HMDB	11115414
Human Blood	Detected and Quantified	3.2		uM	Adult (>18 years old)	Male	Normal	HMDB	17069347
Human Blood	Detected and Quantified	0.238	0.002	uM	Adult (>18 years old)	Both	Normal	HMDB	20671299
Human Blood	Detected and Quantified	11.743	6.655	uM	Adult (>18 years old)	Female	Normal	HMDB	9368807
Human Blood	Detected and Quantified	12.8	3.2	uM	Adult (>18 years old)	Male	Normal	HMDB	11115414
Human Blood	Detected and Quantified	6.399	3.200	uM	Adult (>18 years old)	Male	Normal	HMDB	17069347
Human Blood	Detected and Quantified	6.4	3.2	uM	Adult (>18 years old)	Male	Normal	HMDB	11115414
Human Blood	Detected and Quantified	9.599	3.200	uM	Adult (>18 years old)	Male	Normal	HMDB	17069347
Human Blood	Detected and Quantified	9.599	6.399	uM	Adult (>18 years old)	Male	Normal	HMDB	17069347
Human Blood	Detected and Quantified	9.6	6.3	uM	Adult (>18 years old)	Male	Normal	HMDB	11115414
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0002212

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

28822

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Dray F: Sensitivity and specificity of eicosanoid radioimmunoassays: new strategy. Br J Dermatol. 1983 Jul;109 Suppl 25:36-40. doi: 10.1111/j.1365-2133.1983.tb06816.x. [PubMed:6860583 ]
Onodera Y, Kawaguchi T, Itoh H: Fatty acid of cerebrospinal fluid in arrested hydrocephalus. Childs Brain. 1982;9(2):95-101. doi: 10.1159/000120041. [PubMed:7094674 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Arachidic acid (MMDBc0000214)

MOL for #<Metabolite:0x00007fdb709a1f20>

3D MOL for #<Metabolite:0x00007fdb709a1f20>

3D SDF for #<Metabolite:0x00007fdb709a1f20>

3D-SDF for #<Metabolite:0x00007fdb709a1f20>

PDB for #<Metabolite:0x00007fdb709a1f20>

3D PDB for #<Metabolite:0x00007fdb709a1f20>

SMILES for #<Metabolite:0x00007fdb709a1f20>

INCHI for #<Metabolite:0x00007fdb709a1f20>

Structure for #<Metabolite:0x00007fdb709a1f20>

3D Structure for #<Metabolite:0x00007fdb709a1f20>