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

2024-10-15 17:13:59 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

Not Available

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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018626	dTDP	Thymidine 5'-triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018665	Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate	dTDP	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	dTDP	TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyltransferase	Transfer of TDP-N-acetylfucosamine:lipid II N-acetylfucosaminyl group	PathBank	31602464
MMDBr0019798	dTDP	Thymidine 5'-triphosphate	Unknown Protein		PathBank	31602464
MMDBr0020673	5-Thymidylic acid	dTDP	Thymidylate kinase	Phosphorylation	PathBank	31602464
MMDBr0025939	dTDP-beta-L-rhamnose	dTDP	Protein-arginine rhamnosyltransferase	Transfer of a rhamnosyl group	RHEA	34755880
MMDBr0025940	dTDP-beta-L-rhamnose	dTDP	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	11	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/Eubacteria	Firmicutes	444	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/Eubacteria	Proteobacteria	463	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	Actinobacteria	23	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/Eubacteria	Actinobacteria	121	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/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	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/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	28	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/Eubacteria	Spirochaetes	7	Human feces; Pig ; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	23	Human feces; Goat ; Human ; Pig	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Viruses	nah	1
Bacteria/Eubacteria	Cyanobacteria	28
Archaea/Archaea	Crenarchaeota	8		Metabolic reconstruction
Bacteria/Eubacteria	Aquificae	2
Archaea/Archaea	Euryarchaeota	32		Metabolic reconstruction
Viruses/Bamfordvirae	Nucleocytoviricota	17
Bacteria/Eubacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria/Eubacteria	Chlorobi	9
Bacteria/Eubacteria	Chloroflexi	7
Bacteria/Eubacteria	Deinococcus-thermus	3
Bacteria/Eubacteria	Thermotogae	7
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria	nah	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

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:0x00007f9202244910>

3D MOL for #<Metabolite:0x00007f9202244910>

3D SDF for #<Metabolite:0x00007f9202244910>

3D-SDF for #<Metabolite:0x00007f9202244910>

PDB for #<Metabolite:0x00007f9202244910>

3D PDB for #<Metabolite:0x00007f9202244910>

SMILES for #<Metabolite:0x00007f9202244910>

INCHI for #<Metabolite:0x00007f9202244910>

Structure for #<Metabolite:0x00007f9202244910>

3D Structure for #<Metabolite:0x00007f9202244910>