MiMeDB: Showing metabocard for dTDP (MMDBc0029605)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:34:10 UTC

Update Date

2022-08-31 13:59:06 UTC

Metabolite ID

MMDBc0029605

Metabolite Identification

Common Name

dTDP

Description

dTDP is an intermediate in the synthesis and breakdown of DNA. Thymidylate kinase (EC 2.7.4.9; ATP:dTMP phosphotransferase) catalyzes the phosphorylation of dTMP (to form dTDP) in the dTTP synthesis pathway for DNA synthesis. (OMIM 188345

Structure

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

HMDB0001274
     RDKit          3D
dTDP
 41 42  0  0  0  0  0  0  0  0999 V2000
   -6.4771   -0.2621    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1825    0.4134    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9680   -0.2357    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956    0.3636    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.3923    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4853   -1.4602   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -1.4598   -0.8966 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5424   -2.7328   -0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5344   -0.6477    0.2506 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9025   -0.0655   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -1.1413   -0.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -0.6654   -0.3854 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6806   -0.5610   -1.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065   -1.8284    0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.7980    0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    1.5736   -0.2620 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4887    2.6401   -1.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8309    2.3251    1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    0.5059   -1.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.3593    0.3556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392    1.6356   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    2.2330   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758    2.3337   -0.2849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1336    1.7286   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2565    2.3176   -0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2850    0.3202    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4351   -1.2529    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6186   -0.4056    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -1.2708    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.8439    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -1.2161   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -2.4230   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466   -0.9457   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.7365   -1.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -1.2298    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    0.5950   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.5268    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -2.7148    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5321    2.9331    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056   -0.4344   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134    3.3233   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  9 20  1  0
  4 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24  2  1  0
 20  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  5 30  1  1
  6 31  1  0
  6 32  1  0
  7 33  1  6
  8 34  1  0
  9 35  1  1
 10 36  1  0
 10 37  1  0
 14 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END


  Mrv1652309042000202D          

 25 26  0  0  1  0            999 V2000
    1.2169    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0040    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741    0.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6227   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -0.0171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1478   -0.8044    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4133   -0.0309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -1.0965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3403   -1.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818    0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    2.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953   -0.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    1.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3168   -0.3128    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1418   -0.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237   -1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237    0.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9634   -0.3093    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -1.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849   -0.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668    0.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
  7  8  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029605

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

> <INCHI_KEY>
UJLXYODCHAELLY-XLPZGREQSA-N

> <FORMULA>
C10H16N2O11P2

> <MOLECULAR_WEIGHT>
402.1884

> <EXACT_MASS>
402.022932388

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.12109849726626

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.87

> <JCHEM_LOGP>
-1.6644180996666658

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.210405220777684

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7717480097137095

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2403442590936775

> <JCHEM_POLAR_SURFACE_AREA>
192.15999999999997

> <JCHEM_REFRACTIVITY>
77.1578

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.94e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dTDP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001274
     RDKit          3D
dTDP
 41 42  0  0  0  0  0  0  0  0999 V2000
   -6.4771   -0.2621    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1825    0.4134    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9680   -0.2357    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956    0.3636    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.3923    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4853   -1.4602   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -1.4598   -0.8966 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5424   -2.7328   -0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5344   -0.6477    0.2506 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9025   -0.0655   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -1.1413   -0.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -0.6654   -0.3854 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6806   -0.5610   -1.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065   -1.8284    0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.7980    0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    1.5736   -0.2620 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4887    2.6401   -1.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8309    2.3251    1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    0.5059   -1.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.3593    0.3556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392    1.6356   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    2.2330   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758    2.3337   -0.2849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1336    1.7286   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2565    2.3176   -0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2850    0.3202    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4351   -1.2529    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6186   -0.4056    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -1.2708    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.8439    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -1.2161   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -2.4230   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466   -0.9457   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.7365   -1.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -1.2298    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    0.5950   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.5268    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -2.7148    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5321    2.9331    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056   -0.4344   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134    3.3233   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  9 20  1  0
  4 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24  2  1  0
 20  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  5 30  1  1
  6 31  1  0
  6 32  1  0
  7 33  1  6
  8 34  1  0
  9 35  1  1
 10 36  1  0
 10 37  1  0
 14 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       2.272   0.000   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.741   0.488   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0       1.072   0.886   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.816  -1.502   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.896  -0.539   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.062   1.989   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.186  -0.032   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.276  -1.502   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       6.371  -0.058   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       4.594  -2.047   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.518   2.483   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.649   0.443   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.635  -2.740   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.686   1.457   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.820   3.991   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.791  -0.584   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       8.149   1.931   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -4.325  -0.584   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -5.865  -0.584   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.338  -2.124   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.338   0.950   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      -7.398  -0.577   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -7.405  -2.117   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -8.932  -0.577   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -7.405   0.956   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9   10                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12    8                                                  
CONECT    8    4   13    7                                                  
CONECT    9    5   14                                                       
CONECT   10    5                                                            
CONECT   11    6   15   14                                                  
CONECT   12    7   16                                                       
CONECT   13    8                                                            
CONECT   14    9   17   11                                                  
CONECT   15   11                                                            
CONECT   16   12   18                                                       
CONECT   17   14                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0001274
HETATM    1  C1  UNL     1      -6.477  -0.262   0.739  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.183   0.413   0.428  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.968  -0.236   0.557  1.00  0.00           C  
HETATM    4  N1  UNL     1      -2.796   0.364   0.280  1.00  0.00           N  
HETATM    5  C4  UNL     1      -1.592  -0.392   0.445  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.485  -1.460  -0.625  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.020  -1.460  -0.897  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.542  -2.733  -0.897  1.00  0.00           O  
HETATM    9  C7  UNL     1       0.534  -0.648   0.251  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.902  -0.065  -0.009  1.00  0.00           C  
HETATM   11  O2  UNL     1       2.790  -1.141  -0.097  1.00  0.00           O  
HETATM   12  P1  UNL     1       4.368  -0.665  -0.385  1.00  0.00           P  
HETATM   13  O3  UNL     1       4.681  -0.561  -1.864  1.00  0.00           O  
HETATM   14  O4  UNL     1       5.407  -1.828   0.296  1.00  0.00           O  
HETATM   15  O5  UNL     1       4.660   0.798   0.408  1.00  0.00           O  
HETATM   16  P2  UNL     1       6.023   1.574  -0.262  1.00  0.00           P  
HETATM   17  O6  UNL     1       5.489   2.640  -1.220  1.00  0.00           O  
HETATM   18  O7  UNL     1       6.831   2.325   1.026  1.00  0.00           O  
HETATM   19  O8  UNL     1       7.022   0.506  -1.069  1.00  0.00           O  
HETATM   20  O9  UNL     1      -0.439   0.359   0.356  1.00  0.00           O  
HETATM   21  C9  UNL     1      -2.839   1.636  -0.134  1.00  0.00           C  
HETATM   22  O10 UNL     1      -1.746   2.233  -0.406  1.00  0.00           O  
HETATM   23  N2  UNL     1      -3.976   2.334  -0.285  1.00  0.00           N  
HETATM   24  C10 UNL     1      -5.134   1.729  -0.006  1.00  0.00           C  
HETATM   25  O11 UNL     1      -6.256   2.318  -0.122  1.00  0.00           O  
HETATM   26  H1  UNL     1      -7.285   0.320   0.296  1.00  0.00           H  
HETATM   27  H2  UNL     1      -6.435  -1.253   0.201  1.00  0.00           H  
HETATM   28  H3  UNL     1      -6.619  -0.406   1.831  1.00  0.00           H  
HETATM   29  H4  UNL     1      -3.986  -1.271   0.898  1.00  0.00           H  
HETATM   30  H5  UNL     1      -1.603  -0.844   1.469  1.00  0.00           H  
HETATM   31  H6  UNL     1      -2.066  -1.216  -1.534  1.00  0.00           H  
HETATM   32  H7  UNL     1      -1.812  -2.423  -0.186  1.00  0.00           H  
HETATM   33  H8  UNL     1       0.147  -0.946  -1.871  1.00  0.00           H  
HETATM   34  H9  UNL     1       1.284  -2.736  -1.580  1.00  0.00           H  
HETATM   35  H10 UNL     1       0.482  -1.230   1.173  1.00  0.00           H  
HETATM   36  H11 UNL     1       1.921   0.595  -0.874  1.00  0.00           H  
HETATM   37  H12 UNL     1       2.221   0.527   0.870  1.00  0.00           H  
HETATM   38  H13 UNL     1       4.949  -2.715   0.308  1.00  0.00           H  
HETATM   39  H14 UNL     1       7.532   2.933   0.669  1.00  0.00           H  
HETATM   40  H15 UNL     1       6.906  -0.434  -0.833  1.00  0.00           H  
HETATM   41  H16 UNL     1      -4.013   3.323  -0.607  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    3   24
CONECT    3    4   29
CONECT    4    5   21
CONECT    5    6   20   30
CONECT    6    7   31   32
CONECT    7    8    9   33
CONECT    8   34
CONECT    9   10   20   35
CONECT   10   11   36   37
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   38
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   39
CONECT   19   40
CONECT   21   22   22   23
CONECT   23   24   41
CONECT   24   25   25
END

HMDB0001274
     RDKit          3D
dTDP
 41 42  0  0  0  0  0  0  0  0999 V2000
   -6.4771   -0.2621    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1825    0.4134    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9680   -0.2357    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956    0.3636    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.3923    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4853   -1.4602   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -1.4598   -0.8966 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5424   -2.7328   -0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5344   -0.6477    0.2506 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9025   -0.0655   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -1.1413   -0.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -0.6654   -0.3854 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6806   -0.5610   -1.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065   -1.8284    0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.7980    0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    1.5736   -0.2620 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4887    2.6401   -1.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8309    2.3251    1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    0.5059   -1.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.3593    0.3556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392    1.6356   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    2.2330   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758    2.3337   -0.2849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1336    1.7286   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2565    2.3176   -0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2850    0.3202    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4351   -1.2529    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6186   -0.4056    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -1.2708    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.8439    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -1.2161   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -2.4230   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466   -0.9457   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.7365   -1.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -1.2298    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    0.5950   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.5268    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -2.7148    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5321    2.9331    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056   -0.4344   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134    3.3233   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  9 20  1  0
  4 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24  2  1  0
 20  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  5 30  1  1
  6 31  1  0
  6 32  1  0
  7 33  1  6
  8 34  1  0
  9 35  1  1
 10 36  1  0
 10 37  1  0
 14 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END

Synonyms

Value	Source
2'-Deoxyribosylthymine 5'-(trihydrogen diphosphate)	ChEBI
Deoxy-TDP	ChEBI
Deoxythymidine 5'-diphosphate	ChEBI
Thymidine 5'-diphosphate	ChEBI
Thymidine 5'-pyrophosphate	ChEBI
THYMIDINE-5'- diphosphATE	ChEBI
2'-Deoxyribosylthymine 5'-(trihydrogen diphosphoric acid)	Generator
Deoxythymidine 5'-diphosphoric acid	Generator
Thymidine 5'-diphosphoric acid	Generator
Thymidine 5'-pyrophosphoric acid	Generator
THYMIDINE-5'- diphosphoric acid	Generator
TDP	HMDB

Molecular Formula

C₁₀H₁₆N₂O₁₁P₂

Average Mass

402.1884

Monoisotopic Mass

402.022932388

IUPAC Name

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

Traditional Name

dTDP

CAS Registry Number

491-97-4

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O

InChI Identifier

InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

InChI Key

UJLXYODCHAELLY-XLPZGREQSA-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:18075 )
thymidine phosphate (CHEBI:18075 )
Deoxyribonucleotides (C00363 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.94 g/L	ALOGPS
logP	-0.87	ALOGPS
logP	-1.7	ChemAxon
logS	-1.8	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	77.16 m³·mol⁻¹	ChemAxon
Polarizability	32.12 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-6922000000-78987adf8e4b2b4baa77	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00dm-9341200000-af3e3a557688731137d2	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0kdi-9720700000-003f87d03143415a6bf9	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-f02dc55e07c9935275d9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-4901000000-bc16523808594ec9a806	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-5900000000-2199218952cf36a3e3a2	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-2607900000-696f76b41235895dc296	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9801000000-9bc55b2280dfcf3aed1d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-d33e29452de0777eaa0d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-1100900000-bedafc8a6d3579ef1476	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9102100000-8cad78608dae5988a8c1	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-0ff3218786dbaaac7dea	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0920500000-ccf96f505a327015ed67	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-2910000000-857f636dcd89f8378f36	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-2910000000-b95a62414e3f309b00bb	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum

Biological Properties

Cellular Locations

Mitochondria
Nucleus

Biospecimen Locations

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
MMDBp0191757	Ectonucleoside triphosphate diphosphohydrolase 1	Unknown	P49961	Homo sapiens
MMDBp0191758	Soluble calcium-activated nucleotidase 1	Unknown	Q8WVQ1	Homo sapiens
MMDBp0191759	Ectonucleoside triphosphate diphosphohydrolase 3	Unknown	O75355	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
MMDBp0192495	Ectonucleoside triphosphate diphosphohydrolase 4	Unknown	Q9Y227	Homo sapiens
MMDBp0192496	Ectonucleoside triphosphate diphosphohydrolase 6	Unknown	O75354	Homo sapiens
MMDBp0192497	Ectonucleoside triphosphate diphosphohydrolase 5	Unknown	O75356	Homo sapiens
MMDBp0192520	dTDP-D-glucose 4,6-dehydratase	Unknown	O95455	Homo sapiens
MMDBp0192881	Polyribonucleotide nucleotidyltransferase 1, mitochondrial	Enzyme	Q8TCS8	Homo sapiens
MMDBp0193590	Uridine-cytidine kinase 2	Unknown	Q9BZX2	Homo sapiens
MMDBp0194185	Uridine-cytidine kinase-like 1	Enzyme	Q9NWZ5	Homo sapiens
MMDBp0194442	Ectonucleoside triphosphate diphosphohydrolase 8	Unknown	Q5MY95	Homo sapiens
MMDBp0195533	Putative nucleoside diphosphate kinase	Unknown	O60361	Homo sapiens
MMDBp0195544	Probable 8-oxo-dGTP diphosphatase NUDT15	Unknown	Q9NV35	Homo sapiens
MMDBp0195545	Nucleoside diphosphate-linked moiety X motif 17	Unknown	P0C025	Homo sapiens
MMDBp0195546	8-oxo-dGDP phosphatase NUDT18	Unknown	Q6ZVK8	Homo sapiens
MMDBp0195551	Nucleoside diphosphate-linked moiety X motif 8, mitochondrial	Unknown	Q8WV74	Homo sapiens
MMDBp0196531	Nucleoside diphosphate kinase	Enzyme	A2IDD0	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
MMDBr0000736	Adenosine triphosphate	Adenosine triphosphate	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via ATP Antiport	VMH	11226231
MMDBr0000737	ADP	ADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via ADP Antiport	VMH	11226231
MMDBr0000738	dTDP	dTDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via dUDP Antiport	VMH	11226231
MMDBr0000739	dGDP	dGDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via dGTP Antiport	VMH	11226231
MMDBr0000740	dADP	dADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via dADP Antiport	VMH	11226231
MMDBr0000741	dCDP	dCDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTDP via dCDP Antiport	VMH	11226231
MMDBr0000743	dCDP	dCDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dCDP via dTDP Antiport	VMH	11226231
MMDBr0000751	dGDP	dGDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dGDP via dTDP Antiport	VMH	11226231
MMDBr0000754	dTDP	dTDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dUTP via dTDP Antiport	VMH	11226231
MMDBr0000765	dTDP	dTDP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dTTP via dTDP Antiport	VMH	11226231
MMDBr0000779	Deoxyadenosine triphosphate	Deoxyadenosine triphosphate	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dATP via dTDP Antiport	VMH	11226231
MMDBr0000781	dGTP	dGTP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dGTP via dTDP Antiport	VMH	11226231
MMDBr0000787	dADP	dADP	Solute carrier family 25 (mitochondrial thiamine pyrophosphate carrier), member 19	Transport of dADP via dTDP Antiport	VMH	11226231
MMDBr0000829	dTDP	dTDP	Not Available	Transport of dTDP, Nuclear	VMH	30371894
MMDBr0001741	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 4	Nucleoside-Diphosphate Kinase (ATP:dTDP), Mitochondrial	VMH	30371894
MMDBr0001742	Adenosine triphosphate	ADP	Nme/nm23 nucleoside diphosphate kinase 1	Nucleoside-Diphosphate Kinase (ATP:dTDP), Nuclear	VMH	30371894
MMDBr0002573	dTDP	5-Thymidylic acid	Ectonucleoside triphosphate diphosphohydrolase 1	DTDP Diphosphohydrolase	VMH	30371894
MMDBr0002574	Thymidine 5'-triphosphate	dTDP	Ectonucleoside triphosphate diphosphohydrolase 1	DTTP Nucleotidohydrolase	VMH	30371894
MMDBr0003833	Deoxyadenosine triphosphate	dADP	Not Available	DTMP Kinase	VMH	8024690
MMDBr0003834	Deoxyadenosine triphosphate	dADP	Not Available	DTMP Kinase	VMH	8024690
MMDBr0003835	Deoxyadenosine triphosphate	dADP	Not Available	Nucleoside-Diphosphate Kinase	VMH	3026468
MMDBr0003836	Deoxyadenosine triphosphate	dADP	Nme/nm23 nucleoside diphosphate kinase 4	Nucleoside-Diphosphate Kinase	VMH	3026468
MMDBr0003837	Deoxyadenosine triphosphate	dADP	Nme/nm23 nucleoside diphosphate kinase 1	Nucleoside-Diphosphate Kinase	VMH	3026468
MMDBr0004413	dTDP	Thymidine 5'-triphosphate	Pyruvate kinase, muscle	Pyruvate Kinase	VMH	10585400 8967971
MMDBr0005451	Adenosine triphosphate	ADP	Deoxythymidylate kinase (thymidylate kinase)	DTMP Kinase in Mitochondria	VMH	30371894
MMDBr0007323	Adenosine triphosphate	ADP	Not Available	DTMP Kinase	VMH	30371894
MMDBr0007495	Thymidine 5'-triphosphate	dTDP	Not Available	NAD kinase (dTTP)	VMH	30371894
MMDBr0007501	Adenosine triphosphate	ADP	Not Available	Nucleoside-Diphosphate Kinase (ATP:dTDP)	VMH	30371894
MMDBr0008001	Cytidine	Cytidine monophosphate	Not Available	Cytidine kinase (dTTP:Cytidine)	VMH	30371894
MMDBr0008008	Thymidine 5'-triphosphate	dTDP	Not Available	Uridine kinase (dTTP:Uridine)	VMH	30371894
MMDBr0010873	Adenosine monophosphate	ADP	Not Available	Adenylate kinase (dTTP)	VMH	30371894
MMDBr0013226	Adenosine triphosphate	ADP	Putative thymidylate kinase	Phosphorylation	RHEA	34755880
MMDBr0013227	Adenosine triphosphate	ADP	Thymidylate kinase	Phosphorylation	RHEA	34755880
MMDBr0013338	demethyllactenocin	demethylmacrocin	Demethyllactenocin mycarosyltransferase	Transfer of a mycarosyl group	RHEA	34755880
MMDBr0013417	5-O-beta-D-mycaminosyltylonolide	demethyllactenocin	O-mycaminosyltylonolide 6-deoxyallosyltransferase	Transfer of an O-mycaminosyltylonolide 6-deoxyallosyl group	RHEA	34755880
MMDBr0014108	dTDP-alpha-D-mycaminose	5-O-beta-D-mycaminosyltylactone	Tylactone mycaminosyltransferase	Transfer of a tylactone mycaminosyl group	RHEA	34755880
MMDBr0014445	dTDP-L-dihydrostreptose	dTDP	dTDP-dihydrostreptose--streptidine-6-phosphate dihydrostreptosyltransferase	Dihydrostreptosyltransferase	RHEA	34755880
MMDBr0014855	beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate	Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose	TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyltransferase	Transfer of TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyl group	RHEA	34755880
MMDBr0015062	10-deoxymethynolide	YC-17	10-deoxymethynolide desosaminyltransferase	Desosaminyltransferase	RHEA	34755880
MMDBr0015114	3-O-mycarosylerythronolide B	dTDP	3-alpha-mycarosylerythronolide B desosaminyl transferase	Conversion of alpha-L-mycarosylerythronolide B into erythromycin D	RHEA	34755880
MMDBr0015349	dTDP-beta-L-rhamnose	alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octa-cis-decaprenol	N-acetylglucosaminyl-diphospho-decaprenol L-rhamnosyltransferase	Transfer of a rhamnosyl group	RHEA	34755880
MMDBr0015526	dTDP-4-O-demethyl-beta-L-noviose	desmethyldescarbamoylnovobiocin	L-demethylnoviosyl transferase	Transport	RHEA	34755880
MMDBr0015652	devancoaminyl-vancomycin	chloroorienticin B	dTDP-epi-vancosaminyltransferase	Transfer of a vancosaminy group	RHEA	34755880
MMDBr0015698	devancoaminyl-vancomycin	dTDP	Devancosaminyl-vancomycin vancosaminetransferase	Transfer of a vancosamine group	RHEA	34755880
MMDBr0015802	aklavinone	aclacinomycin T	Aklavinone 7-beta-L-rhodosaminyltransferase	Transfer of a rhodosaminyl group	RHEA	34755880
MMDBr0015803	aclacinomycin T	aclacinomycin S	Aclacinomycin-T 2-deoxy-L-fucose transferase	Transfer of 2-deoxy-beta-L-fucose	RHEA	34755880
MMDBr0015804	dTDP-beta-L-mycarose	3-O-mycarosylerythronolide B	Erythronolide mycarosyltransferase	Transfer of a mycarosyl group	RHEA	34755880
MMDBr0015873	8-Demethyltetracenomycin C	8-demethyl-8-alpha-L-rhamnosyl-tetracenomycin C	Elloramycin glycosyltransferase ElmGT	Glycosylation	RHEA	34755880
MMDBr0016146	dTDP-beta-L-daunosamine	dTDP	TDP-daunosamine transferase DnrS	Transferase	RHEA	34755880
MMDBr0016183	devancoaminyl-vancomycin	dTDP	Glycosyltransferase GtfC	Glycosylation	RHEA	34755880
MMDBr0016184	chloroorienticin B	chloroeremomycin	Glycosyltransferase GtfC	Glycosylation	RHEA	34755880
MMDBr0018626	Adenosine triphosphate	Thymidine 5'-triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018665	Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate	Hydrogen Ion	TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyltransferase	Transfer of TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyl group	PathBank	31602464
MMDBr0019235	dTDP-4-Acetamido-4,6-dideoxy-D-galactose	Hydrogen Ion	TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyltransferase	Transfer of TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyl group	PathBank	31602464
MMDBr0019798	Adenosine triphosphate	Thymidine 5'-triphosphate	Not Available		PathBank	31602464
MMDBr0020673	Adenosine triphosphate	dTDP	Thymidylate kinase	Phosphorylation	PathBank	31602464
MMDBr0025939	dTDP-beta-L-rhamnose	Hydrogen Ion	Protein-arginine rhamnosyltransferase	Transfer of a rhamnosyl group	RHEA	34755880
MMDBr0025940	dTDP-beta-L-rhamnose	Hydrogen Ion	Protein-arginine rhamnosyltransferase	Transfer of a rhamnosyl group	RHEA	34755880

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	473	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; Cattle ; Sheep ; Dog ; Lion ; Chicken ; American dog tick	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	472	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; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	144	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	7	Human feces; Pig ; Human	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	23	Human feces; Goat ; Human ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Viruses	nah	1
Bacteria	Cyanobacteria	28
Archaea/Archaea	Crenarchaeota	8		Metabolic reconstruction
Bacteria	Aquificae	2
Archaea/Archaea	Euryarchaeota	32		Metabolic reconstruction
Viruses/Bamfordvirae	Nucleocytoviricota	17
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria	Chlorobi	9
Bacteria	Chloroflexi	7
Bacteria	Deinococcus-thermus	3
Bacteria	Thermotogae	7
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria	nah	1
Bacteria/NULL	Proteobacteria	1	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; Cattle ; Sheep ; Dog ; Lion ; Chicken ; American dog tick	Unknown; Metabolic reconstruction

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Chondrus crispus	FooDB	31437929
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
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
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		FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	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		FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Castanea crenata	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		FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Gossypium	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	Camellia sinensis	FooDB	31437929
Plant	Prunus persica var. nucipersica	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	Phaseolus vulgaris	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Verbena officinalis	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	Lupinus albus	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Pachyrhizus erosus	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

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

External Links

HMDB ID

HMDB0001274

DrugBank ID

DB03103

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Thymidine_diphosphate

METLIN ID

6129

PubChem Compound

164628

PDB ID

Not Available

ChEBI ID

18075

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Dahlmann N: Human serum thymidine triphosphate nucleotidohydrolase: purification and properties of a new enzyme. Biochemistry. 1982 Dec 21;21(26):6634-9. doi: 10.1021/bi00269a004. [PubMed:6297538 ]
Ramaswamy SV, Amin AG, Goksel S, Stager CE, Dou SJ, El Sahly H, Moghazeh SL, Kreiswirth BN, Musser JM: Molecular genetic analysis of nucleotide polymorphisms associated with ethambutol resistance in human isolates of Mycobacterium tuberculosis. Antimicrob Agents Chemother. 2000 Feb;44(2):326-36. doi: 10.1128/AAC.44.2.326-336.2000. [PubMed:10639358 ]
Xu Y, Singh KV, Qin X, Murray BE, Weinstock GM: Analysis of a gene cluster of Enterococcus faecalis involved in polysaccharide biosynthesis. Infect Immun. 2000 Feb;68(2):815-23. doi: 10.1128/IAI.68.2.815-823.2000. [PubMed:10639451 ]
Costantini P, Belzacq AS, Vieira HL, Larochette N, de Pablo MA, Zamzami N, Susin SA, Brenner C, Kroemer G: Oxidation of a critical thiol residue of the adenine nucleotide translocator enforces Bcl-2-independent permeability transition pore opening and apoptosis. Oncogene. 2000 Jan 13;19(2):307-14. doi: 10.1038/sj.onc.1203299. [PubMed:10645010 ]
Vallon O: New sequence motifs in flavoproteins: evidence for common ancestry and tools to predict structure. Proteins. 2000 Jan 1;38(1):95-114. doi: 10.1002/(sici)1097-0134(20000101)38:1<95::aid-prot10>3.0.co;2-a. [PubMed:10651042 ]
Ahmed IH, Manning G, Wassenaar TM, Cawthraw S, Newell DG: Identification of genetic differences between two Campylobacter jejuni strains with different colonization potentials. Microbiology (Reading). 2002 Apr;148(Pt 4):1203-1212. doi: 10.1099/00221287-148-4-1203. [PubMed:11932464 ]
Riener CK, Kada G, Gruber HJ: Quick measurement of protein sulfhydryls with Ellman's reagent and with 4,4'-dithiodipyridine. Anal Bioanal Chem. 2002 Jul;373(4-5):266-76. doi: 10.1007/s00216-002-1347-2. Epub 2002 Jun 6. [PubMed:12110978 ]
Tomioka H: [Prospects for development of new antituberculous drugs]. Kekkaku. 2002 Aug;77(8):573-84. [PubMed:12235850 ]
Kuo SY, Jiann BP, Lu YC, Chang HT, Chen WC, Huang JK, Jan CR: Thiol oxidation by 2,2'-dithiodipyridine induced calcium mobilization in MG63 human osteosarcoma cells. Life Sci. 2003 Feb 28;72(15):1733-43. doi: 10.1016/s0024-3205(02)02479-7. [PubMed:12559394 ]
Sheu SJ, Wu SN: Mechanism of inhibitory actions of oxidizing agents on calcium-activated potassium current in cultured pigment epithelial cells of the human retina. Invest Ophthalmol Vis Sci. 2003 Mar;44(3):1237-44. doi: 10.1167/iovs.02-0330. [PubMed:12601054 ]
Kuo SY, Ho CM, Chen WC, Jan CR: Sulfhydryl modification by 4,4'-dithiodipyridine induces calcium mobilization in human osteoblast-like cells. Arch Toxicol. 2003 Nov;77(11):630-7. doi: 10.1007/s00204-003-0495-2. Epub 2003 Aug 20. [PubMed:12928766 ]
Bialkowski K, Kasprzak KS: Inhibition of 8-oxo-2'-deoxyguanosine 5'-triphosphate pyrophosphohydrolase (8-oxo-dGTPase) activity of the antimutagenic human MTH1 protein by nucleoside 5'-diphosphates. Free Radic Biol Med. 2003 Sep 15;35(6):595-602. doi: 10.1016/s0891-5849(03)00362-9. [PubMed:12957652 ]

Showing metabocard for dTDP (MMDBc0029605)

MOL for #<Metabolite:0x000055d24a0ad120>

3D MOL for #<Metabolite:0x000055d24a0ad120>

3D SDF for #<Metabolite:0x000055d24a0ad120>

3D-SDF for #<Metabolite:0x000055d24a0ad120>

PDB for #<Metabolite:0x000055d24a0ad120>

3D PDB for #<Metabolite:0x000055d24a0ad120>

SMILES for #<Metabolite:0x000055d24a0ad120>

INCHI for #<Metabolite:0x000055d24a0ad120>

Structure for #<Metabolite:0x000055d24a0ad120>

3D Structure for #<Metabolite:0x000055d24a0ad120>