MiMeDB: Showing metabocard for Pentadecanoic acid (MMDBc0000551)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:40:20 UTC

Update Date

2024-10-09 17:54:56 UTC

Metabolite ID

MMDBc0000551

Metabolite Identification

Common Name

Pentadecanoic acid

Description

Pentadecanoic acid, also known as pentadecylic acid or C15:0, 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. Pentadecanoic acid (its ester is called pentadecanoate) is a saturated fatty acid that has 15 carbons and is therefore a very hydrophobic molecule that is practically insoluble in water. Pentadecanoic acid is found in plants and ruminants. Many "odd" length long-chain fatty acids, such as pentadecanoic acid, are derived from the consumption of cattle fats (milk and meat). Pentadecanoic acid constitutes 1.05% of milk fat and 0.43% of ruminant meat fat. The content of pentadecanoic acid in the subcutaneous adipose tissue of humans appears to be a good biological marker of long-term milk fat intake in free-living individuals in populations with high consumption of dairy products. (PMID: 9701185 ; PMID: 11238766 ).

Structure

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

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 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  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  1  0
M  END


  Mrv1652309272007382D          

 17 16  0  0  0  0            999 V2000
10025.598610025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10026.315910025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10027.029710025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10027.745510025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10028.461210025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10029.174910025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10029.890610025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.606410025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10031.320010025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10024.883610025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10024.168510025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10023.453610025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.738710025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.023710025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10021.308910025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10020.593710025.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10021.308910026.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000551

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

> <INCHI_KEY>
WQEPLUUGTLDZJY-UHFFFAOYSA-N

> <FORMULA>
C15H30O2

> <MOLECULAR_WEIGHT>
242.3975

> <EXACT_MASS>
242.224580204

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
32.231033831473866

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentadecanoic acid

> <ALOGPS_LOGP>
6.65

> <JCHEM_LOGP>
5.812014112666667

> <ALOGPS_LOGS>
-5.86

> <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>
72.48259999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.34e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentadecanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 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  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  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    8714.4518714.761   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8715.7908713.993   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8717.1228714.761   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8718.4588713.993   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8719.7948714.761   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8721.1268713.993   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8722.4628714.761   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8723.7998713.993   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8725.1318714.761   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8713.1168713.993   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8711.7818714.761   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8710.4478713.993   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8709.1128714.761   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8707.7788713.993   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8706.4438714.761   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8705.1088713.993   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8706.4438716.302   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
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                                                            
CONECT   10    1   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0000826
HETATM    1  C1  UNL     1       6.271   0.826  -0.248  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.904  -0.350  -1.074  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.884  -1.280  -0.539  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.511  -0.813  -0.318  1.00  0.00           C  
HETATM    5  C5  UNL     1       3.375   0.302   0.645  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.904   0.688   0.882  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.228   1.138  -0.382  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.193   1.529  -0.134  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.048   0.393   0.424  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.460   0.945   0.612  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.398  -0.082   1.171  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.531  -1.291   0.283  1.00  0.00           C  
HETATM   13  C13 UNL     1      -4.041  -0.948  -1.077  1.00  0.00           C  
HETATM   14  C14 UNL     1      -5.386  -0.296  -1.104  1.00  0.00           C  
HETATM   15  C15 UNL     1      -6.482  -1.085  -0.535  1.00  0.00           C  
HETATM   16  O1  UNL     1      -6.273  -2.219  -0.078  1.00  0.00           O  
HETATM   17  O2  UNL     1      -7.753  -0.564  -0.506  1.00  0.00           O  
HETATM   18  H1  UNL     1       5.989   0.735   0.818  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.866   1.765  -0.644  1.00  0.00           H  
HETATM   20  H3  UNL     1       7.418   0.957  -0.240  1.00  0.00           H  
HETATM   21  H4  UNL     1       6.856  -0.916  -1.312  1.00  0.00           H  
HETATM   22  H5  UNL     1       5.572  -0.027  -2.119  1.00  0.00           H  
HETATM   23  H6  UNL     1       4.835  -2.168  -1.252  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.234  -1.754   0.438  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.926  -1.682   0.096  1.00  0.00           H  
HETATM   26  H9  UNL     1       3.033  -0.589  -1.311  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.835   0.068   1.599  1.00  0.00           H  
HETATM   28  H11 UNL     1       3.821   1.253   0.249  1.00  0.00           H  
HETATM   29  H12 UNL     1       1.349  -0.190   1.282  1.00  0.00           H  
HETATM   30  H13 UNL     1       1.911   1.517   1.595  1.00  0.00           H  
HETATM   31  H14 UNL     1       1.748   2.059  -0.754  1.00  0.00           H  
HETATM   32  H15 UNL     1       1.318   0.391  -1.198  1.00  0.00           H  
HETATM   33  H16 UNL     1      -0.673   1.924  -1.042  1.00  0.00           H  
HETATM   34  H17 UNL     1      -0.200   2.359   0.608  1.00  0.00           H  
HETATM   35  H18 UNL     1      -0.639   0.075   1.390  1.00  0.00           H  
HETATM   36  H19 UNL     1      -1.027  -0.471  -0.261  1.00  0.00           H  
HETATM   37  H20 UNL     1      -2.424   1.822   1.310  1.00  0.00           H  
HETATM   38  H21 UNL     1      -2.828   1.296  -0.377  1.00  0.00           H  
HETATM   39  H22 UNL     1      -4.390   0.420   1.284  1.00  0.00           H  
HETATM   40  H23 UNL     1      -3.019  -0.347   2.180  1.00  0.00           H  
HETATM   41  H24 UNL     1      -2.517  -1.727   0.160  1.00  0.00           H  
HETATM   42  H25 UNL     1      -4.117  -2.101   0.774  1.00  0.00           H  
HETATM   43  H26 UNL     1      -4.048  -1.858  -1.719  1.00  0.00           H  
HETATM   44  H27 UNL     1      -3.319  -0.261  -1.561  1.00  0.00           H  
HETATM   45  H28 UNL     1      -5.389   0.693  -0.565  1.00  0.00           H  
HETATM   46  H29 UNL     1      -5.584  -0.007  -2.176  1.00  0.00           H  
HETATM   47  H30 UNL     1      -8.049  -0.129   0.372  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4   23   24
CONECT    4    5   25   26
CONECT    5    6   27   28
CONECT    6    7   29   30
CONECT    7    8   31   32
CONECT    8    9   33   34
CONECT    9   10   35   36
CONECT   10   11   37   38
CONECT   11   12   39   40
CONECT   12   13   41   42
CONECT   13   14   43   44
CONECT   14   15   45   46
CONECT   15   16   16   17
CONECT   17   47
END

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 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  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  1  0
M  END

Synonyms

Value	Source
15:00	ChEBI
C15	ChEBI
C15:0	ChEBI
N-Pentadecanoic acid	ChEBI
Pentadecylic acid	ChEBI
N-Pentadecanoate	Generator
Pentadecylate	Generator
Pentadecanoate	Generator
N-Pentadecylate	HMDB
N-Pentadecylic acid	HMDB
Pentadecyclate	HMDB
Pentadecyclic acid	HMDB
FA(15:0)	HMDB
Pentadecanoic acid	MeSH
14FA	PhytoBank

Molecular Formula

C₁₅H₃₀O₂

Average Mass

242.3975

Monoisotopic Mass

242.224580204

IUPAC Name

pentadecanoic acid

Traditional Name

pentadecanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChI Key

WQEPLUUGTLDZJY-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:42504 )
straight-chain saturated fatty acid (CHEBI:42504 )
Straight chain fatty acids (C16537 )
Straight chain fatty acids (LMFA01010015 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00033 g/L	ALOGPS
logP	6.65	ALOGPS
logP	5.81	ChemAxon
logS	-5.9	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	13	ChemAxon
Refractivity	72.48 m³·mol⁻¹	ChemAxon
Polarizability	32.23 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-MS (1 TMS)	splash10-015a-2910000000-7f0113961bc4f281b68d	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-015a-2910000000-7f0113961bc4f281b68d	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-014i-1900000000-d69aa674fba2ef153294	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9700000000-5fdb791c98a3d1afb3f2	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00ds-9440000000-c48712b46200e1d92783	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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-00di-0900000000-6ec01ce9b8fdc68d94a9	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 30V, Negative	splash10-00di-0900000000-6ec01ce9b8fdc68d94a9	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-00di-0900000000-6ec01ce9b8fdc68d94a9	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-0006-0090000000-110165b889d231d09d59	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-0006-0090000000-e497b3530081726e5ced	2017-09-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 30V, Negative	splash10-0006-0090000000-15d18c0525685af6dade	2017-09-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-0006-0090000000-72b33052a241e98e015e	2017-09-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-0006-0090000000-110165b889d231d09d59	2017-09-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-TOF , negative	splash10-0006-0090000000-e497b3530081726e5ced	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-TOF , negative	splash10-0006-0090000000-15d18c0525685af6dade	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-TOF , negative	splash10-0006-0090000000-72b33052a241e98e015e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0090000000-1416cf4e0892e7961cf5	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0ab9-9100000000-7afbfa184267e53ce724	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0006-9550000000-66ce9961a17feae488d9	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-066r-9000000000-d53184bd1b3b6d6a3eb5	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0006-0090000000-cb5c25c7dcdbbb67eb60	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0006-0090000000-30f81c19c47194f754c5	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-052f-9100000000-250dbe37e10809fe3616	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0a4l-9000000000-bf26bddfb84b56f5d5ef	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-002f-0290000000-e7342714318939c2be52	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-002e-4930000000-0b5a7be5eba92f894517	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9500000000-4a20037c0dd6bfa5cd45	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0190000000-af3122f573a9dcce9040	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0007-1590000000-76597eec59d238b7eb31	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9400000000-5852258bf4f39de4722e	2016-08-03	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-06xx-9100000000-5bd17e6ee11dac1f2a7f	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)		2012-12-04	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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Adipose Tissue
Blood
Feces
Saliva
Sweat
Urine

Tissue Locations

Adipose Tissue

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
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
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
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
MMDBr0001101	Pentadecanoic acid	Pentadecanoyl Coenzyme A	Not Available	VMH	15292367
MMDBr0009185	Pentadecanoyl Coenzyme A	Pentadecanoic acid	acyl-CoA thioesterase 1	VMH	30371894
MMDBr0009968	Pentadecanoic acid	Pentadecanoyl Coenzyme A	Not Available	VMH	30371894
MMDBr0010204	Cholest-5-En-3B-Yl (Pentadecanoate)	Cholesterol	carboxyl ester lipase	VMH; KEGG	30371894
MMDBr0010243	Cholest-5-En-3B-Yl (Pentadecanoate)	Cholesterol	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	3	Human feces; Human sputum; Human ; Human subgingival plaque; Human saliva; Human stool	Indirect association between microbiota composition and metabolites measured in host biospecimen
Eukaryota/Fungi	Ascomycota	2

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Osmeridae	FooDB	34893796
Animal	Meat		FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Sebastes alutus	FooDB	DTU
Animal	Kidney	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Pleuronectidae	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Sander lucioperca	FooDB	DTU
Animal	Neck	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Salmo salar	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Thunnus albacares	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal		Astacidea	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Heart	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
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	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Gadiformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Turkey	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Gadus	FooDB	DTU
Animal	Thymus	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fat	Sus scrofa domestica	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Clupeinae	FooDB	DTU
Animal		Microstomus kitt	FooDB	DTU
Animal	Egg	Anas platyrhynchos	FooDB	DTU
Animal		Mytilidae	FooDB	DTU
Animal		Oncorhynchus nerka	FooDB	34893796
Animal	Leg meat	Domestic pig	FooDB	DTU
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	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Hippoglossus hippoglossus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Squalus acanthias	FooDB	DTU
Animal	Heart	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Kidney	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Kidney	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Leg	Ranidae	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Octopus vulgaris	FooDB	DTU
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	Oil	Melanogrammus aeglefinus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Sebastes viviparus	FooDB	DTU
Animal	Tripe	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal	Hand with rind	Domestic pig	FooDB	DTU
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	DTU
Animal	Oil	Gadus	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	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	DTU
Animal		Oncorhynchus nerka	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Abramis brama	FooDB	DTU
Animal		Clupeinae	FooDB	DTU
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		Pleuronectiformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Anarhichas lupus	FooDB	DTU
Animal		Cichlidae	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Heart	Cattle	FooDB	DTU
Animal	Tongue	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	16899705
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Liver	Cattle	FooDB	DTU
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		Stenodus leucichthys	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Milk	Bos taurus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal	Tongue	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Hand	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	Milk	Homo sapiens	FooDB	DTU
Animal	Fllet	Gadus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat		FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Brain	Cattle	FooDB	34893796
Animal		Oncorhynchus keta	FooDB	34893796
Animal	Fat	Cattle	FooDB	DTU
Animal		Salmonidae	FooDB	DTU
Animal	Meat		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	Fat	Anser sp.	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	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Sheep	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Heart	Domestic pig	FooDB	DTU
Animal	Tongue	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Nephropidae	FooDB	DTU
Animal	Liver	Chicken	FooDB	DTU
Animal	Fillet	Molva molva	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Liver		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		FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Cichlidae	FooDB	34893796
Animal	Heart	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Pollachius	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Hoplostethus atlanticus	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Hand	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Pectinidae	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal		Trisopterus esmarkii	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Gadus	FooDB	DTU
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Liver	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal		Reinhardtius hippoglossoides	FooDB	DTU
Animal	Milk	Homo sapiens	FooDB	DTU
Animal		Esox lucius	FooDB	DTU
Animal		Oncorhynchus tshawytscha	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Tripe	Cattle	FooDB	34893796
Animal		Belone belone	FooDB	DTU
Animal		Salmonidae	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Gastropoda	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal		Merlangius merlangus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Limanda limanda	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Kidney	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Crassostrea virginica	FooDB	34893796
Animal		Oncorhynchus keta	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Pigeon	FooDB	DTU
Animal		Nephropidae	FooDB	DTU
Animal	Liver		FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Heart	Cattle	FooDB	DTU
Animal	Shoulder	Domestic pig	FooDB	DTU
Animal		Scophthalmus maximus	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Coregonus	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	Cattle	FooDB	34893796
Animal		Anguilliformes	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Pollachius	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Liver	Cattle	FooDB	DTU
Animal	Hand	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Milk	Capra aegagrus hircus	FooDB	DTU
Animal		Caridea	FooDB	DTU
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Liver	Domestic pig	FooDB	DTU
Animal		Eucheuma	FooDB	DTU
Animal	Liver	Gadus	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	DTU
Animal	Milk	Homo sapiens	FooDB	DTU
Animal		Salvelinus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Brachyura	FooDB	DTU
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal		Acipenseridae	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Oncorhynchus mykiss	FooDB	DTU
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Fillet	Micromesistius poutassou	FooDB	DTU
Animal		Oncorhynchus tshawytscha	FooDB	34893796
Animal		Thunnus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	34893796
Animal		Hippoglossus	FooDB	34893796
Animal	Fillet	Siluriformes	FooDB	DTU
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Ictalurus punctatus	FooDB	34893796
Animal		Oncorhynchus kisutch	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Pigeon	FooDB	DTU
Animal		Perciformes	FooDB	DTU
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Nephrops norvegicus	FooDB	DTU
Animal	Neck	Domestic pig	FooDB	DTU
Animal	Thymus	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Coregonus	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat and skin	Turkey	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal		Clupeinae	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Fillet	Pollachius	FooDB	DTU
Animal		Saccharina japonica	FooDB	DTU
Animal	Liver	Domestic pig	FooDB	DTU
Animal	Hind leg without rind	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Kidney	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	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	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal		Oncorhynchus mykiss	FooDB	34893796
Animal	Meat and skin		FooDB	DTU
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	Liver	Cattle	FooDB	34893796
Animal		Salvelinus namaycush	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Brachyura	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal		Acipenseridae	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Sheep	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Milk	Bos taurus	FooDB	34893796
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Egg	Gallus gallus	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal		Hippoglossus	FooDB	34893796
Animal		Lota lota	FooDB	DTU
Animal	Fat	Cattle	FooDB	DTU
Animal	Liver	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Thymus	Sheep	FooDB	DTU
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Coregonus	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Meat		FooDB	34893796
Animal		Ictalurus punctatus	FooDB	34893796
Animal	Rib	Domestic pig	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Brain	Cattle	FooDB	34893796
Animal	Meat	Turkey	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	DTU
Animal	Fat	Sus scrofa	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal		Mytilidae	FooDB	DTU
Animal	Meat	Domestic pig	FooDB	34893796
Animal		Clupeinae	FooDB	DTU
Animal	Leg with knuckle	Domestic pig	FooDB	DTU
Animal	Fat	Cattle	FooDB	DTU
Animal	Thymus	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat and skin	Domestic pig	FooDB	DTU
Animal	Tongue	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Egg	Gallus gallus	FooDB	DTU
Animal		Oncorhynchus mykiss	FooDB	DTU
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Cattle	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Food	Cocoa products	Theobroma cacao	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			FooDB	DTU
Food	Cocoa products	Theobroma cacao	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			FooDB	DTU
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food		Coffea canephora	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	DTU
Food	Cocoa products	Theobroma cacao	FooDB	34893796
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
Plant	Fruit	Ribes uva-crispa	FooDB	DTU
Plant	Oil	Elaeis	FooDB	DTU
Plant		Rheum rhabarbarum	FooDB	DTU
Plant		Lens culinaris	FooDB	DTU
Plant		Allium	FooDB	DTU
Plant		Armoracia rusticana	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Seed	Vigna angularis	FooDB	DTU
Plant		Allium sativum	FooDB	DTU
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	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Fruit	Prunus persica	FooDB	DTU
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	DTU
Plant	Seed	Foeniculum vulgare	FooDB	DTU
Plant	Flower	Sambucus nigra	FooDB	DUKE
Plant	Nut	Pinus	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant	Root	Raphanus sativus var. longipinnatus	FooDB	DTU
Plant	Fruit	Vaccinium vitis-idaea	FooDB	DTU
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Brassica oleracea	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant	Fruit	Sambucus	FooDB	DTU
Plant		Cantharellus cibarius	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Nut	Corylus	FooDB	DTU
Plant		Spinacia oleracea	FooDB	DTU
Plant		Scorzonera hispanica	FooDB	DTU
Plant		Ipomoea batatas	FooDB	DTU
Plant	Oil	Helianthus annuus	FooDB	DTU
Plant	Seed	Phaseolus vulgaris	FooDB	DTU
Plant	Seed oil	Vitis	FooDB	DTU
Plant	Seed	Cucurbita maxima	FooDB	34893796
Plant		Manihot esculenta	FooDB	DTU
Plant	Seed	Glycine max	FooDB	DTU
Plant		Lactuca sativa	FooDB	DTU
Plant	Fruit	Ficus carica	FooDB	DTU
Plant	Fruit	Actinidia chinensis	FooDB	DTU
Plant		Musa x paradisiaca	FooDB	DTU
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant		Allium	FooDB	DTU
Plant	Fruit	Passiflora edulis	FooDB	DTU
Plant		Lens culinaris	FooDB	DTU
Plant	Leaves	Apium graveolens var. secalinum	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Fruit	Citrus x paradisi	FooDB	DTU
Plant		Pisum sativum	FooDB	DTU
Plant	Nut	Arachis hypogaea	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Seed	Medicago sativa	FooDB	DTU
Plant		Cichorium intybus	FooDB	DTU
Plant		Sinapis alba	FooDB	24285751
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant		Abelmoschus esculentus	FooDB	DTU
Plant	Fruit	Prunus persica	FooDB	DTU
Plant	Fruit	Phoenix dactylifera	FooDB	DTU
Plant	Root	Zingiber officinale	FooDB	DTU
Plant	Fruit	Mangifera indica	FooDB	DTU
Plant	Leaves		FooDB	DTU
Plant	Juice	Citrus limon	FooDB	DTU
Plant	Root	Raphanus sativus var. longipinnatus	FooDB	DTU
Plant	Root	Daucus carota ssp. sativus	FooDB	DTU
Plant	Seed	Phaseolus vulgaris	FooDB	34893796
Plant		Cynara scolymus	FooDB	DTU
Plant		Carica papaya	FooDB	DTU
Plant	Fruit	Malus	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant		Brassica oleracea	FooDB	DTU
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant		Rorippa nasturtium-aquaticum	FooDB	DTU
Plant	Bulb	Allium sativum l. var. sativum	FooDB	DUKE
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	Fruit	Vitis	FooDB	DTU
Plant	Seed	Helianthus annuus	FooDB	DTU
Plant	Leaves		FooDB	DTU
Plant		Lepidium sativum	FooDB	DTU
Plant	Fruit	Cucurbita maxima	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant	Root	Beta vulgaris var. rubra	FooDB	DTU
Plant	Sprout	Glycine max	FooDB	DTU
Plant	Fruit	Cucumis sativus	FooDB	DTU
Plant	Flour	Glycine max	FooDB	34893796
Plant		Lactuca sativa	FooDB	DTU
Plant		Anethum graveolens	FooDB	DTU
Plant	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Juice	Prunus	FooDB	DTU
Plant		Brassica oleracea var. gongylodes	FooDB	DTU
Plant		Agaricus bisporus	FooDB	DTU
Plant		Lens culinaris	FooDB	34893796
Plant	Oil	Sesamum orientale	FooDB	DTU
Plant		Allium	FooDB	DTU
Plant	Fruit	Citrus aurantiifolia	FooDB	DTU
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant	Flour	Solanum tuberosum	FooDB	DTU
Plant		Lactuca sativa l. var. longifolia	FooDB	DTU
Plant		Brassica oleracea var. italica	FooDB	DTU
Plant	Root	Foeniculum vulgare	FooDB	DTU
Plant		Helianthus tuberosus	FooDB	DTU
Plant	Root	Armoracia rusticana	FooDB	DTU
Plant	Pollen or spore	Taraxacum officinale	FooDB	DUKE
Plant		Phaseolus vulgaris	FooDB	DTU
Plant	Peel	Citrus limon	FooDB	DTU
Plant	Leaves		FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant	Fruit	Litchi chinensis	FooDB	DTU
Plant	Oil	Linum usitatissimum	FooDB	DTU
Plant	Fruit	Ficus carica	FooDB	DTU
Plant	Powder	Rosa	FooDB	DTU
Plant	Fruit	Solanum melongena	FooDB	DTU
Plant	Seed oil	Juglans nigra	FooDB	DUKE
Plant		Brassica oleracea var. sabauda	FooDB	DTU
Plant	Fruit	Physalis	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	34893796
Plant		Eragrostis tef	FooDB	34893796
Plant	Seed	Coriandrum sativum	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant		Brassica napus	FooDB	DTU
Plant	Fruit	Punica granatum	FooDB	DTU
Plant	Oil	Gossypium	FooDB	DTU
Plant	Nut	Pistacia vera	FooDB	DTU
Plant	Fruit	Persea americana	FooDB	DTU
Plant		Amaranthus	FooDB	34893796
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Juice	Prunus	FooDB	DTU
Plant	Fruit	Diospyros	FooDB	DTU
Plant	Fruit	Fragaria x ananassa	FooDB	DTU
Plant	Fruit	Prunus domestica	FooDB	DTU
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		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	Rubus x loganobaccus	FooDB	DTU
Plant		Solanum tuberosum	FooDB	DTU
Plant	Fruit	Citrus sinensis	FooDB	DTU
Plant	Root	Daucus carota ssp. sativus	FooDB	DTU
Plant		Ipomoea batatas	FooDB	DTU
Plant	Bean sprout	Vigna radiata	FooDB	DTU
Plant	Shoot	Apium graveolens var. rapaceum	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant		Brassica rapa var. chinensis	FooDB	DTU
Plant	Seed	Linum usitatissimum	FooDB	DTU
Plant	Fruit	Rosa	FooDB	DTU
Plant	Seed oil	Elettaria cardamomum	FooDB	DUKE
Plant	Fruit	Capsicum annuum	FooDB	All-Creatures
Plant		Chenopodium quinoa	FooDB	34893796
Plant		Lens culinaris	FooDB	DTU
Plant	Seed	Pisum sativum	FooDB	DTU
Plant	Seed	Sesamum orientale	FooDB	DTU
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	34893796
Plant	Nut	Bertholletia excelsa	FooDB	DTU
Plant	Fruit	Citrus limon	FooDB	DTU
Plant	Juice	Vitis	FooDB	DTU
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Fruit	Capsicum annuum var. annuum	FooDB	DUKE
Plant	Leaves	Taraxacum officinale	FooDB	DTU
Plant		Brassica oleracea var. italica	FooDB	DTU
Plant		Cichorium intybus	FooDB	DTU
Plant	Fruit	Cucumis melo	FooDB	DTU
Plant	Fruit	Prunus	FooDB	DTU
Plant		Anethum graveolens	FooDB	DTU
Plant		Brassica rapa	FooDB	DTU
Plant	Oil	Arachis hypogaea	FooDB	DTU
Plant	Fruit	Citrus reticulata	FooDB	DTU
Plant	Oil	Brassica napus var. napus	FooDB	DTU
Plant	Fruit	Malus pumila	FooDB	DTU
Plant	Oil	Carthamus tinctorius	FooDB	DTU
Plant	Oil	Cocos nucifera	FooDB	DTU
Plant	Fruit	Prunus armeniaca	FooDB	DTU
Plant	Leaves	Coriandrum sativum	FooDB	DTU
Plant		Juglans nigra	FooDB	DTU
Plant		Solanum tuberosum	FooDB	DTU
Plant	Juice	Ribes nigrum	FooDB	DTU
Plant	Seed	Cucurbita pepo var. clypeata	FooDB	34893796
Plant	Fruit	Capsicum annuum	FooDB	34893796
Plant	Seed	Papaver	FooDB	DTU
Plant	Seed	Vigna radiata	FooDB	DTU
Plant	Fruit	Prunus domestica	FooDB	DTU
Plant	Oil	Linum usitatissimum	FooDB	34893796
Plant	Fruit	Prunus persica var. nucipersica	FooDB	DTU
Plant	Fruit	Solanum lycopersicum	FooDB	DTU
Plant	Leaves	Camellia sinensis	FooDB	DTU
Plant	Flour	Glycine max	FooDB	DTU
Plant		Annona cherimola	FooDB	DTU
Plant	Seed	Myristica fragrans	FooDB	DUKE
Plant	Rhizome	Zingiber officinale	FooDB	DUKE
Plant		Lens culinaris	FooDB	DTU
Plant		Cichorium endivia	FooDB	DTU
Plant	Seed	Sesamum orientale	FooDB	DTU
Plant	Fruit	Citrullus lanatus	FooDB	DTU
Plant	Seed	Pisum sativum	FooDB	DTU
Plant	Juice	Fragaria x ananassa	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	34893796
Plant	Fruit	Vitis	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Shoot	Phyllostachys edulis	FooDB	DTU
Plant	Oil	Elaeis	FooDB	DTU
Plant	Leaves	Cucumis melo	FooDB	DUKE
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Oil	Brassica napus var. napus	FooDB	DTU
Plant		Anthriscus cerefolium	FooDB	DTU
Plant		Allium schoenoprasum	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant	Juice	Sambucus	FooDB	DTU
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant		Brassica napus var. pabularia	FooDB	DTU
Plant		Eriobotrya japonica	FooDB	DTU
Plant	Fruit	Malus pumila	FooDB	DTU
Plant		Rheum rhabarbarum	FooDB	DTU
Plant	Fruit	Averrhoa carambola	FooDB	DTU
Plant	Leaves	Coriandrum sativum	FooDB	DTU
Plant	Powder	Allium sativum	FooDB	DTU
Plant	Fruit	Cocos nucifera	FooDB	DTU
Plant	Fruit	Vaccinium	FooDB	DTU
Plant	Bean sprout	Phaseolus vulgaris	FooDB	DTU
Plant	Seed	Cicer arietinum	FooDB	DTU
Plant		Solanum tuberosum	FooDB	DTU
Plant	Juice	Ribes nigrum	FooDB	DTU
Plant		Rumex acetosa	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. clypeata	FooDB	DTU
Plant		Beta vulgaris ssp. cicla	FooDB	DTU
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant		Piper nigrum	FooDB	DTU
Plant	Oil	Glycine max	FooDB	DTU
Plant		Spinacia oleracea	FooDB	DTU
Plant	Fruit	Vaccinium myrtillus	FooDB	DTU
Plant		Citrus japonica	FooDB	DTU
Plant	Fruit	Citrus sinensis	FooDB	DTU
Plant	Nut	Castanea	FooDB	DTU
Plant		Cichorium endivia	FooDB	DTU
Plant	Fruit	Opuntia	FooDB	DTU
Plant	Shoot	Asparagus officinalis	FooDB	DTU
Plant		Cinnamomum	FooDB	DTU
Plant	Juice	Fragaria x ananassa	FooDB	DTU
Plant	Seed	Pisum sativum	FooDB	DTU
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	34893796
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Root	Petroselinum crispum	FooDB	DTU
Plant	Oil	Olea europaea	FooDB	DTU
Plant		Brassica oleracea	FooDB	DTU
Plant	Fruit	Cucurbita	FooDB	DTU
Plant		Anthriscus cerefolium	FooDB	DTU
Plant	Fruit	Ribes rubrum	FooDB	DTU
Plant		Myristica fragrans	FooDB	DTU
Plant	Tuber	Dioscorea	FooDB	DTU
Plant		Brassica oleracea var. botrytis	FooDB	DTU
Plant	Oil	Cirsium	FooDB	DTU
Plant	Juice	Sambucus	FooDB	DTU
Plant	Fruit	Cucumis sativus	FooDB	DTU
Plant		Brassica oleracea var. gemmifera	FooDB	DTU
Plant	Flour	Glycine max	FooDB	34893796
Plant	Fruit	Capsicum annuum	FooDB	DUKE
Plant	Leaves	Solanum tuberosum	FooDB	DUKE
Plant	Fruit	Cydonia oblonga	FooDB	DTU
Plant		Lactuca sativa	FooDB	DTU
Plant	Seed	Nuphar lutea	FooDB	34893796
Plant	Fruit	Vaccinium	FooDB	DTU
Plant	Bean	Phaseolus vulgaris	FooDB	DTU
Plant	Fruit	Ribes nigrum	FooDB	DTU
Plant	Fruit	Pyrus communis	FooDB	DTU
Plant		Glycine max	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU
Plant	Fruit	Tamarindus indica	FooDB	DTU
Plant		Pleurotus ostreatus	FooDB	DTU
Plant		Apium graveolens	FooDB	DTU
Plant		Prunus dulcis	FooDB	DTU
Plant	Fruit	Psidium guajava	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

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	0.653	0.004	uM	Adult (>18 years old)	Both	Normal	HMDB	20671299
Human Blood	Detected and Quantified	1.34	0.91	uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified	150	50	uM	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human Blood	Detected and Quantified	2.692	0.510	uM	Adult (>18 years old)	Both	Normal	HMDB	18953024
Human Blood	Detected and Quantified	2.692	0.510	uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified	220	50	uM	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human Blood	Detected and Quantified	230	60	uM	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human Adipose tissue	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	20809147
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
Human Feces	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24029555
Human Feces	Detected but not Quantified				Infant (0-1 year old)	NULL	Normal	HMDB	24628373
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24789758
Human Feces	Detected but not Quantified				Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Feces	Detected but not Quantified				Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Sweat	Detected but not Quantified				Adult	Both	Normal	HMDB	26755145
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24740205
Human Blood	Detected but not Quantified				Adult (>18 years old)	Female	Normal	HMDB	27355821
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

HMDB0000826

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

42504

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bauwens K, Jacobi CA, Gellert K, Aurisch R, Zieren HU: [Diagnosis and therapy of postoperative chyloperitoneum]. Chirurg. 1996 Jun;67(6):658-60. [PubMed:8767101 ]
Wolk A, Vessby B, Ljung H, Barrefors P: Evaluation of a biological marker of dairy fat intake. Am J Clin Nutr. 1998 Aug;68(2):291-5. doi: 10.1093/ajcn/68.2.291. [PubMed:9701185 ]
Wolk A, Furuheim M, Vessby B: Fatty acid composition of adipose tissue and serum lipids are valid biological markers of dairy fat intake in men. J Nutr. 2001 Mar;131(3):828-33. doi: 10.1093/jn/131.3.828. [PubMed:11238766 ]
Jong MC, Voshol PJ, Muurling M, Dahlmans VE, Romijn JA, Pijl H, Havekes LM: Protection from obesity and insulin resistance in mice overexpressing human apolipoprotein C1. Diabetes. 2001 Dec;50(12):2779-85. doi: 10.2337/diabetes.50.12.2779. [PubMed:11723061 ]
Nanasato M, Hirayama H, Ando A, Isobe S, Nonokawa M, Kinoshita Y, Nanbu I, Yokota M, Murohara T: Incremental predictive value of myocardial scintigraphy with 123I-BMIPP in patients with acute myocardial infarction treated with primary percutaneous coronary intervention. Eur J Nucl Med Mol Imaging. 2004 Nov;31(11):1512-21. doi: 10.1007/s00259-004-1556-3. Epub 2004 Jul 1. [PubMed:15232655 ]
Matsuo S, Nakamura Y, Nakae I, Matsumoto T, Takada M, Murata K, Horie M: Scintigraphic evaluation of cardiac metabolism in multicentric Castleman's disease. Intern Med. 2004 Jun;43(6):490-2. doi: 10.2169/internalmedicine.43.490. [PubMed:15283185 ]
Tani T, Teragaki M, Watanabe H, Muro T, Yamagishi H, Akioka K, Yoshiyama M, Takeuchi K, Yoshikawa J: Detecting viable myocardium and predicting functional improvement: comparisons of positron emission tomography, rest-redistribution thallium-201 single-photon emission computed tomography (SPECT), exercise thallium-201 reinjection SPECT, I-123 BMIPP SPECT and dobutamine stress echocardiography. Circ J. 2004 Oct;68(10):950-7. doi: 10.1253/circj.68.950. [PubMed:15459470 ]
Akutsu Y, Kodama Y, Nishimura H, Kinohira Y, Li HL, Yamanaka H, Kayano H, Hamazaki Y, Shinozuka A, Katagiri T: Contractile reserve, thallium-201 reverse redistribution and mismatch between perfusion and metabolism in reperfused infarct-related myocardium with delayed and incomplete functional recovery. Jpn Heart J. 2004 Sep;45(5):739-48. doi: 10.1536/jhj.45.739. [PubMed:15557715 ]
Seki H, Toyama T, Higuchi K, Kasama S, Ueda T, Seki R, Hatori T, Endo K, Kurabayashi M: Prediction of functional improvement of ischemic myocardium with (123I-BMIPP SPECT and 99mTc-tetrofosmin SPECT imaging: a study of patients with large acute myocardial infarction and receiving revascularization therapy. Circ J. 2005 Mar;69(3):311-9. doi: 10.1253/circj.69.311. [PubMed:15731537 ]

Showing metabocard for Pentadecanoic acid (MMDBc0000551)

MOL for #<Metabolite:0x00007fdb70d11fc0>

3D MOL for #<Metabolite:0x00007fdb70d11fc0>

3D SDF for #<Metabolite:0x00007fdb70d11fc0>

3D-SDF for #<Metabolite:0x00007fdb70d11fc0>

PDB for #<Metabolite:0x00007fdb70d11fc0>

3D PDB for #<Metabolite:0x00007fdb70d11fc0>

SMILES for #<Metabolite:0x00007fdb70d11fc0>

INCHI for #<Metabolite:0x00007fdb70d11fc0>

Structure for #<Metabolite:0x00007fdb70d11fc0>

3D Structure for #<Metabolite:0x00007fdb70d11fc0>