MiMeDB: Showing metabocard for dUDP (MMDBc0029527)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:31:04 UTC

Update Date

2022-08-31 13:41:52 UTC

Metabolite ID

MMDBc0029527

Metabolite Identification

Common Name

dUDP

Description

dUDP is a member of the chemical class known as Pyrimidine 2'-deoxyribonucleoside Diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2. Deoxyuridine Diphosphate (dUDP) dUDP is a deoxyribonucleotide made from UDP in the reaction catalyzed by ribonucleotide reductase, as follows: UDP + NADPH <=> dUDP + NADP+ (http://www.pearsonhighered.com/mathews/molex/dudp.htm)

Structure

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

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END


  Mrv1652307202023202D          

 24 25  0  0  0  0            999 V2000
 9997.189910000.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7584 9998.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6710 9999.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.202810001.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.386710000.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1003 9999.6841    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.816010000.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6878 9998.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5128 9998.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.5358 9999.6962    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1233 9998.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.251510000.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9483 9998.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.189210000.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4747 9999.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4747 9998.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1892 9998.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9037 9998.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9037 9999.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2903 9999.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.622910000.0864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.877810000.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.702810000.8710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.957710000.0864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 19  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 24  3  1  1  0  0  0
 23  4  1  6  0  0  0
  1 14  2  0  0  0  0
 21 19  1  1  0  0  0
 16  2  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029527

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHI_KEY>
QHWZTVCCBMIIKE-SHYZEUOFSA-N

> <FORMULA>
C9H14N2O11P2

> <MOLECULAR_WEIGHT>
388.1618

> <EXACT_MASS>
388.007282324

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
29.831689347500404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-2.0599685889999995

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.210405158752114

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7717479360816935

> <JCHEM_PKA_STRONGEST_BASIC>
-3.240344155883659

> <JCHEM_POLAR_SURFACE_AREA>
192.15999999999994

> <JCHEM_REFRACTIVITY>
72.8007

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dUDP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END

HEADER    PROTEIN                                 20-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUL-20         0                                  
HETATM    1  O   UNK     0    8661.4218668.385   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8658.7498663.764   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8667.9198666.077   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8667.0458669.532   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.2558666.845   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0    8670.5878666.077   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0    8671.9238666.845   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8669.8178664.743   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8671.3578664.743   0.000  0.00  0.00           O+0
HETATM   10  P   UNK     0    8673.2678666.100   0.000  0.00  0.00           P+0
HETATM   11  O   UNK     0    8672.4978664.770   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8674.6038666.872   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8674.0378664.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8661.4208666.846   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    8660.0868666.076   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8660.0868664.536   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8661.4208663.766   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8662.7548664.536   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8662.7548666.076   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0    8665.3428665.923   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8664.0968666.828   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8664.5728668.293   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8666.1128668.293   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.5888666.828   0.000  0.00  0.00           C+0
CONECT    1   14                                                            
CONECT    2   16                                                            
CONECT    3    5   24                                                       
CONECT    4   23                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8    9                                             
CONECT    7    6   10                                                       
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    7   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
CONECT   14   15   19    1                                                  
CONECT   15   14   16                                                       
CONECT   16   17   15    2                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   14   18   21                                                  
CONECT   20   21   24                                                       
CONECT   21   22   20   19                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24    4                                                  
CONECT   24   23   20    3                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0001000
HETATM    1  O1  UNL     1       5.790   0.175   3.318  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.906   0.210   2.400  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.902  -0.717   2.349  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.949  -0.654   1.332  1.00  0.00           C  
HETATM    5  N1  UNL     1       3.029   0.322   0.414  1.00  0.00           N  
HETATM    6  C4  UNL     1       2.040   0.378  -0.630  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.021  -0.940  -1.369  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.517  -1.198  -1.502  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.187  -1.674  -2.759  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.029   0.190  -1.244  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.498   0.157  -0.890  1.00  0.00           C  
HETATM   12  O3  UNL     1      -1.927   1.413  -0.494  1.00  0.00           O  
HETATM   13  P1  UNL     1      -3.556   1.434  -0.088  1.00  0.00           P  
HETATM   14  O4  UNL     1      -4.395   1.523  -1.337  1.00  0.00           O  
HETATM   15  O5  UNL     1      -3.887   2.809   0.837  1.00  0.00           O  
HETATM   16  O6  UNL     1      -3.973   0.085   0.841  1.00  0.00           O  
HETATM   17  P2  UNL     1      -5.322  -0.712   0.251  1.00  0.00           P  
HETATM   18  O7  UNL     1      -6.180   0.188  -0.625  1.00  0.00           O  
HETATM   19  O8  UNL     1      -6.254  -1.220   1.581  1.00  0.00           O  
HETATM   20  O9  UNL     1      -4.938  -2.071  -0.657  1.00  0.00           O  
HETATM   21  O10 UNL     1       0.752   0.591  -0.156  1.00  0.00           O  
HETATM   22  C9  UNL     1       4.015   1.216   0.481  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.070   2.113  -0.382  1.00  0.00           O  
HETATM   24  N2  UNL     1       4.955   1.172   1.464  1.00  0.00           N  
HETATM   25  H1  UNL     1       3.860  -1.482   3.091  1.00  0.00           H  
HETATM   26  H2  UNL     1       2.168  -1.388   1.305  1.00  0.00           H  
HETATM   27  H3  UNL     1       2.270   1.240  -1.305  1.00  0.00           H  
HETATM   28  H4  UNL     1       2.408  -0.753  -2.383  1.00  0.00           H  
HETATM   29  H5  UNL     1       2.532  -1.744  -0.826  1.00  0.00           H  
HETATM   30  H6  UNL     1       0.201  -1.919  -0.701  1.00  0.00           H  
HETATM   31  H7  UNL     1      -0.031  -2.636  -2.672  1.00  0.00           H  
HETATM   32  H8  UNL     1       0.145   0.781  -2.149  1.00  0.00           H  
HETATM   33  H9  UNL     1      -2.040  -0.074  -1.844  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.726  -0.568  -0.097  1.00  0.00           H  
HETATM   35  H11 UNL     1      -3.052   3.119   1.227  1.00  0.00           H  
HETATM   36  H12 UNL     1      -5.594  -1.594   2.244  1.00  0.00           H  
HETATM   37  H13 UNL     1      -4.017  -2.398  -0.506  1.00  0.00           H  
HETATM   38  H14 UNL     1       5.701   1.883   1.481  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   24
CONECT    3    4    4   25
CONECT    4    5   26
CONECT    5    6   22
CONECT    6    7   21   27
CONECT    7    8   28   29
CONECT    8    9   10   30
CONECT    9   31
CONECT   10   11   21   32
CONECT   11   12   33   34
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   35
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   36
CONECT   20   37
CONECT   22   23   23   24
CONECT   24   38
END

HMDB0001000
     RDKit          3D
dUDP
 38 39  0  0  0  0  0  0  0  0999 V2000
    5.7898    0.1755    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.2102    2.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.7168    2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -0.6536    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3215    0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    0.3775   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0209   -0.9401   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -1.1981   -1.5020 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872   -1.6739   -2.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.1905   -1.2439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4976    0.1566   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271    1.4131   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    1.4336   -0.0883 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.3953    1.5226   -1.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874    2.8094    0.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.0846    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224   -0.7116    0.2508 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.1799    0.1876   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2539   -1.2201    1.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.0713   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    0.5906   -0.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.2165    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    2.1132   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    1.1725    1.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -1.4823    3.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -1.3876    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.2399   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.7530   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7444   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -1.9194   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.6361   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    0.7809   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -0.0742   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.5678   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    3.1187    1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5942   -1.5945    2.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -2.3981   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.8831    1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 10 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 21  6  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  1
  9 31  1  0
 10 32  1  6
 11 33  1  0
 11 34  1  0
 15 35  1  0
 19 36  1  0
 20 37  1  0
 24 38  1  0
M  END

Synonyms

Value	Source
2'-Deoxyuridine 5'-diphosphate	ChEBI
2'-Deoxyuridine 5'-diphosphoric acid	Generator
2'-Deoxyuridine-5'-diphosphate	HMDB
Deoxyuridine-diphosphate	HMDB
2'-Deoxyuridine 5'-(trihydrogen diphosphate)	HMDB
2’-Deoxyuridine 5’-(trihydrogen diphosphate)	HMDB
2’-Deoxyuridine 5’-diphosphate	HMDB
Deoxyuridine 5'-diphosphate	HMDB
Deoxyuridine 5’-diphosphate	HMDB
Deoxyuridine diphosphate	HMDB
dUDP	HMDB

Molecular Formula

C₉H₁₄N₂O₁₁P₂

Average Mass

388.1618

Monoisotopic Mass

388.007282324

IUPAC Name

[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

dUDP

CAS Registry Number

Not Available

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O

InChI Identifier

InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChI Key

QHWZTVCCBMIIKE-SHYZEUOFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2'-deoxyribonucleoside diphosphates

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside diphosphate
Organic pyrophosphate
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Lactam
Urea
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyrimidine 2'-deoxyribonucleoside 5'-diphosphate (CHEBI:28850 )
deoxyuridine phosphate (CHEBI:28850 )
Deoxyribonucleotides (C01346 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	8.03 g/L	ALOGPS
logP	-0.99	ALOGPS
logP	-2.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	192.16 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	72.8 m³·mol⁻¹	ChemAxon
Polarizability	29.83 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004m-6911000000-1f7795debc1eaf0802e6	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-002g-9741200000-2a5ff084260317ace541	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 (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-1900000000-3d46a12380fc537ed482	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-4910000000-e4d9c69da2a4f1af3f7d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-6900000000-38fc58820b65e6b77481	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-6309000000-e32a735e5de73376968b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056u-9801000000-189cbc835aaa1c3340b1	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-07b08a59c26df7bb2d1e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0009000000-aa2d362ee8b723b7d488	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9111000000-b30fec320d4d01519c03	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-5632c2fa3d2d7c954d90	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-3913000000-cbd6b90181ad2dcbef10	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-6910000000-514b52784d71478993f8	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-4900000000-32241af48bd1f1fd6e37	2021-09-22	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

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria
Nucleus

Biospecimen Locations

Blood
Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191756	Thymidylate kinase	Enzyme	P23919	Homo sapiens
MMDBp0191778	Uridine-cytidine kinase 1	Unknown	Q9HA47	Homo sapiens
MMDBp0191779	Nucleoside diphosphate kinase, mitochondrial	Unknown	O00746	Homo sapiens
MMDBp0191781	Nucleoside diphosphate kinase A	Unknown	P15531	Homo sapiens
MMDBp0191782	Nucleoside diphosphate kinase 7	Unknown	Q9Y5B8	Homo sapiens
MMDBp0191784	Nucleoside diphosphate kinase B	Unknown	P22392	Homo sapiens
MMDBp0191785	Nucleoside diphosphate kinase 3	Unknown	Q13232	Homo sapiens
MMDBp0191786	Nucleoside diphosphate kinase 6	Unknown	O75414	Homo sapiens
MMDBp0193590	Uridine-cytidine kinase 2	Unknown	Q9BZX2	Homo sapiens
MMDBp0194182	Ribonucleoside-diphosphate reductase subunit M2 B	Unknown	Q7LG56	Homo sapiens
MMDBp0194185	Uridine-cytidine kinase-like 1	Enzyme	Q9NWZ5	Homo sapiens
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000729	dTDP	dTDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via dTDP Antiport	VMH	11226231
MMDBr0000730	dGDP	dGDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via dGDP Antiport	VMH	11226231
MMDBr0000731	dADP	dADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via dADP Antiport	VMH	11226231
MMDBr0000732	dCDP	dCDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via dCDP Antiport	VMH	11226231
MMDBr0000733	ADP	ADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via ADP Antiport	VMH	11226231
MMDBr0000734	Adenosine triphosphate	Adenosine triphosphate	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUDP via ATP Antiport	VMH	11226231
MMDBr0000738	dTDP	dTDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via dUDP Antiport	VMH	11226231
MMDBr0000742	dCDP	dCDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dCDP via dUDP Antiport	VMH	11226231
MMDBr0000750	dGDP	dGDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dGDP via dUDP Antiport	VMH	11226231
MMDBr0000755	dUDP	dUDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUTP via dUDP Antiport	VMH	11226231
MMDBr0000764	Thymidine 5'-triphosphate	Thymidine 5'-triphosphate	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTTP via dUDP Antiport	VMH	11226231
MMDBr0000768	Deoxyadenosine triphosphate	Deoxyadenosine triphosphate	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dATP via dUDP Antiport	VMH	11226231
MMDBr0000771	dCTP	dCTP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dCTP via dUDP Antiport	VMH	11226231
MMDBr0000780	dGTP	dGTP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dGTP via dUDP Antiport	VMH	11226231
MMDBr0000786	dADP	dADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dADP via dUDP Antiport	VMH	11226231
MMDBr0000831	dUDP	dUDP	Not Available	Transport of dUDP, Nuclear	VMH	30371894
MMDBr0001730	dUDP	dUMP	Deoxythymidylate kinase (thymidylate kinase)	Nucleoside-Diphosphatase (dUDP)	VMH	30371894
MMDBr0001745	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 4	Nucleoside-Diphosphate Kinase (ATP:dUDP), Mitochondrial	VMH	30371894
MMDBr0001746	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 1	Nucleoside-Diphosphate Kinase (ATP:dUDP), Nuclear	VMH	30371894
MMDBr0002360	Adenosine triphosphate	ADP	Deoxythymidylate kinase (thymidylate kinase)	Uridylate Kinase (dUMP), Mitochondrial	VMH	30371894
MMDBr0002585	Cytidine	Cytidine monophosphate	Uridine-cytidine kinase 1	DUTP:Cytidine 5-Phosphotransferase	VMH	11306702 9923963
MMDBr0002867	Deoxyuridine triphosphate	dUDP	Uridine-cytidine kinase 1	DUTP:Uridine 5-Phosphotransferase	VMH	11306702 11494055 64250 9923963
MMDBr0007503	Adenosine triphosphate	ADP	Not Available	Nucleoside-Diphosphate Kinase (ATP:dUDP)	VMH	30371894
MMDBr0007596	Adenosine triphosphate	ADP	Not Available	ATP:dUMP Phosphotransferase	VMH	30371894
MMDBr0007998	Cytidine	Cytidine monophosphate	Not Available	Cytidine kinase (dUTP:Cytidine)	VMH	30371894
MMDBr0008005	Deoxyuridine triphosphate	dUDP	Not Available	Uridine kinase (dUTP:Uridine)	VMH	30371894
MMDBr0008387	Adenosine triphosphate	ADP	Not Available	Uridylate kinase dUMP	VMH	30371894
MMDBr0010874	Adenosine monophosphate	ADP	Not Available	Adenylate kinase (dUTP)	VMH	30371894
MMDBr0018622	Uridine 5'-diphosphate	Water	Anaerobic ribonucleoside-triphosphate reductase	Reduction	PathBank	31602464
MMDBr0018623	Adenosine triphosphate	Deoxyuridine triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0019795	Uridine 5'-diphosphate	Water	Not Available		PathBank	31602464
MMDBr0019796	Adenosine triphosphate	Deoxyuridine triphosphate	Not Available		PathBank	31602464
MMDBr0019802	Uridine 5'-diphosphate	Water	Ribonucleoside-diphosphate reductase large chain 1	Reduction	PathBank	31602464

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	Proteobacteria	182	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	391	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Laminaria	FooDB	31437929
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant		FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant		FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant		FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant		FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Corylus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	0.5	0.1			uM	Adult (>18 years old)	Both	Normal	HMDB	7877593

External Links

HMDB ID

HMDB0001000

DrugBank ID

DB03413

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022361

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

5931

PubChem Compound

145729

PDB ID

Not Available

ChEBI ID

28850

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Duran EH, Morshedi M, Taylor S, Oehninger S: Sperm DNA quality predicts intrauterine insemination outcome: a prospective cohort study. Hum Reprod. 2002 Dec;17(12):3122-8. doi: 10.1093/humrep/17.12.3122. [PubMed:12456611 ]
Henkel R, Hajimohammad M, Stalf T, Hoogendijk C, Mehnert C, Menkveld R, Gips H, Schill WB, Kruger TF: Influence of deoxyribonucleic acid damage on fertilization and pregnancy. Fertil Steril. 2004 Apr;81(4):965-72. doi: 10.1016/j.fertnstert.2003.09.044. [PubMed:15066449 ]
Lambard S, Galeraud-Denis I, Martin G, Levy R, Chocat A, Carreau S: Analysis and significance of mRNA in human ejaculated sperm from normozoospermic donors: relationship to sperm motility and capacitation. Mol Hum Reprod. 2004 Jul;10(7):535-41. doi: 10.1093/molehr/gah064. Epub 2004 Apr 20. [PubMed:15100385 ]
Di Simone N, Riccardi P, Maggiano N, Piacentani A, D'Asta M, Capelli A, Caruso A: Effect of folic acid on homocysteine-induced trophoblast apoptosis. Mol Hum Reprod. 2004 Sep;10(9):665-9. doi: 10.1093/molehr/gah091. Epub 2004 Jul 30. [PubMed:15286211 ]
Diaz C, Valverde L, Brenes O, Rucavado A, Gutierrez JM: Characterization of events associated with apoptosis/anoikis induced by snake venom metalloproteinase BaP1 on human endothelial cells. J Cell Biochem. 2005 Feb 15;94(3):520-8. doi: 10.1002/jcb.20322. [PubMed:15543558 ]
Wang J, Ohara N, Takekida S, Xu Q, Maruo T: Comparative effects of heparin-binding epidermal growth factor-like growth factor on the growth of cultured human uterine leiomyoma cells and myometrial cells. Hum Reprod. 2005 Jun;20(6):1456-65. doi: 10.1093/humrep/deh842. Epub 2005 Mar 10. [PubMed:15760954 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for dUDP (MMDBc0029527)

MOL for #<Metabolite:0x000055d24750d3a8>

3D MOL for #<Metabolite:0x000055d24750d3a8>

3D SDF for #<Metabolite:0x000055d24750d3a8>

3D-SDF for #<Metabolite:0x000055d24750d3a8>

PDB for #<Metabolite:0x000055d24750d3a8>

3D PDB for #<Metabolite:0x000055d24750d3a8>

SMILES for #<Metabolite:0x000055d24750d3a8>

INCHI for #<Metabolite:0x000055d24750d3a8>

Structure for #<Metabolite:0x000055d24750d3a8>

3D Structure for #<Metabolite:0x000055d24750d3a8>