MiMeDB: Showing metabocard for Thymidine 5'-triphosphate (MMDBc0029624)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:35:04 UTC

Update Date

2024-10-15 19:16:40 UTC

Metabolite ID

MMDBc0029624

Metabolite Identification

Common Name

Thymidine 5'-triphosphate

Description

Thymidine triphosphate or TTP is one of the four nucleoside triphosphates that make up DNA. It can be used by DNA ligase to create overlapping "sticky ends" so that protruding ends of opened microbial plasmids maybe closed up.

Structure

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


  Mrv1652306222023532D          

 32 33  0  0  1  0            999 V2000
   -0.6110   -1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5450   -0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806   -0.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -1.6491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4274    5.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3878    6.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8977    4.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755    3.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9854    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    4.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4936    4.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    2.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581    4.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5151    3.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427    5.2459    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7304    3.1221    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    4.1840    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    1.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    0.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
  8 12  1  6  0  0  0
 12 10  1  0  0  0  0
  6 13  1  1  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 23  4  1  0  0  0  0
 24  7  1  0  0  0  0
 24  8  1  0  0  0  0
 27 16  1  0  0  0  0
 27 17  1  0  0  0  0
 27 18  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  1  0  0  0
  8 32  1  1  0  0  0
M  END

HMDB0001342
     RDKit          3D
Thymidine 5'-triphosphate
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1863   -0.8777    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0194    0.0261   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7362   -0.3064    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.5157    0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940    0.0386    0.5065 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9671   -1.1636   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210   -1.2662    0.1575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5997   -2.0085    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106    0.1745    0.4427 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8655    0.5979   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.1502   -0.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    0.3828   -1.5296 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4521    1.8372   -1.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    0.2144   -3.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402   -0.5611   -1.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521   -0.7137    0.0665 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5002   -1.9082    0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.6551    0.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -0.9982   -0.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    0.2158    0.7467 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.4489    1.5752    0.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382   -0.1504    0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    0.2525    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.9036    0.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9152    1.7206   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    2.4800   -0.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1711    2.0839   -0.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2281    1.2656   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3715    1.6283   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8589   -0.5419    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7238   -0.9749   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7686   -1.8932    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5908   -1.2998    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -0.3192    1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944   -0.8889   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535   -2.0437   -0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.7250   -0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -2.7927    1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    0.3143    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    1.6882   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    0.3366   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.6565   -3.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    1.4829    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8620   -0.0317    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.1488    2.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3313    3.0307   -1.2345 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
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  1
  6 35  1  0
  6 36  1  0
  7 37  1  6
  8 38  1  0
  9 39  1  1
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END


  Mrv1652306222023532D          

 32 33  0  0  1  0            999 V2000
   -0.6110   -1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5450   -0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806   -0.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -1.6491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4274    5.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3878    6.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8977    4.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755    3.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9854    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    4.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4936    4.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    2.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581    4.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5151    3.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427    5.2459    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7304    3.1221    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    4.1840    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    1.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    0.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
  8 12  1  6  0  0  0
 12 10  1  0  0  0  0
  6 13  1  1  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 23  4  1  0  0  0  0
 24  7  1  0  0  0  0
 24  8  1  0  0  0  0
 27 16  1  0  0  0  0
 27 17  1  0  0  0  0
 27 18  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  1  0  0  0
  8 32  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029624

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

> <INCHI_KEY>
NHVNXKFIZYSCEB-XLPZGREQSA-N

> <FORMULA>
C10H17N2O14P3

> <MOLECULAR_WEIGHT>
482.1683

> <EXACT_MASS>
481.989262798

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
36.59837789743729

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[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})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.39

> <JCHEM_LOGP>
-2.086216578666666

> <ALOGPS_LOGS>
-1.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5314813591657925

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8952835615680885

> <JCHEM_PKA_STRONGEST_BASIC>
-3.24034425909658

> <JCHEM_POLAR_SURFACE_AREA>
238.68999999999994

> <JCHEM_REFRACTIVITY>
88.03069999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dTTP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001342
     RDKit          3D
Thymidine 5'-triphosphate
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1863   -0.8777    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0194    0.0261   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7362   -0.3064    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.5157    0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940    0.0386    0.5065 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9671   -1.1636   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210   -1.2662    0.1575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5997   -2.0085    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106    0.1745    0.4427 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8655    0.5979   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.1502   -0.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    0.3828   -1.5296 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4521    1.8372   -1.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    0.2144   -3.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402   -0.5611   -1.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521   -0.7137    0.0665 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5002   -1.9082    0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.6551    0.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -0.9982   -0.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    0.2158    0.7467 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.4489    1.5752    0.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382   -0.1504    0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    0.2525    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.9036    0.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9152    1.7206   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    2.4800   -0.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1711    2.0839   -0.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2281    1.2656   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3715    1.6283   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8589   -0.5419    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7238   -0.9749   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7686   -1.8932    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5908   -1.2998    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -0.3192    1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944   -0.8889   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535   -2.0437   -0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.7250   -0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -2.7927    1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    0.3143    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    1.6882   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    0.3366   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.6565   -3.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    1.4829    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8620   -0.0317    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.1488    2.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3313    3.0307   -1.2345 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
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  1
  6 35  1  0
  6 36  1  0
  7 37  1  6
  8 38  1  0
  9 39  1  1
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END

HEADER    PROTEIN                                 22-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-20         0                                  
HETATM    1  C   UNK     0      -1.141  -3.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.222   3.370   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.419  -0.748   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.179   3.846   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.514  -1.993   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.468   4.275   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.714   3.370   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.698   1.905   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.017  -1.833   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.739   0.820   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.644  -0.426   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -0.793   0.659   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0      -2.468   5.815   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.923  -3.078   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.365   2.227   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0     -11.998  10.268   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0     -10.057  11.257   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0     -11.009   8.328   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -6.488   7.293   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -7.439   4.363   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -7.242   8.130   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0     -10.255   7.490   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.499   5.352   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -3.238   1.905   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -9.068   9.317   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.428   6.304   0.000  0.00  0.00           O+0
HETATM   27  P   UNK     0     -10.533   9.792   0.000  0.00  0.00           P+0
HETATM   28  P   UNK     0      -6.963   5.828   0.000  0.00  0.00           P+0
HETATM   29  P   UNK     0      -8.748   7.810   0.000  0.00  0.00           P+0
HETATM   30  H   UNK     0      -3.840   4.974   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      -4.803   2.281   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      -2.397   0.533   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2    6    8                                                       
CONECT    3    5   12                                                       
CONECT    4    7   23                                                       
CONECT    5    1    3    9                                                  
CONECT    6    2    7   13   30                                             
CONECT    7    4    6   24   31                                             
CONECT    8    2   12   24   32                                             
CONECT    9    5   11   14                                                  
CONECT   10   11   12   15                                                  
CONECT   11    9   10                                                       
CONECT   12    3    8   10                                                  
CONECT   13    6                                                            
CONECT   14    9                                                            
CONECT   15   10                                                            
CONECT   16   27                                                            
CONECT   17   27                                                            
CONECT   18   27                                                            
CONECT   19   28                                                            
CONECT   20   28                                                            
CONECT   21   29                                                            
CONECT   22   29                                                            
CONECT   23    4   28                                                       
CONECT   24    7    8                                                       
CONECT   25   27   29                                                       
CONECT   26   28   29                                                       
CONECT   27   16   17   18   25                                             
CONECT   28   19   20   23   26                                             
CONECT   29   21   22   25   26                                             
CONECT   30    6                                                            
CONECT   31    7                                                            
CONECT   32    8                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

COMPND    HMDB0001342
HETATM    1  C1  UNL     1      -7.186  -0.878   0.078  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.019   0.026  -0.101  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.736  -0.306   0.255  1.00  0.00           C  
HETATM    4  N1  UNL     1      -3.684   0.516   0.090  1.00  0.00           N  
HETATM    5  C4  UNL     1      -2.394   0.039   0.507  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.967  -1.164  -0.350  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.521  -1.266   0.157  1.00  0.00           C  
HETATM    8  O1  UNL     1      -0.600  -2.009   1.345  1.00  0.00           O  
HETATM    9  C7  UNL     1      -0.211   0.174   0.443  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.865   0.598  -0.565  1.00  0.00           C  
HETATM   11  O2  UNL     1       2.005  -0.150  -0.374  1.00  0.00           O  
HETATM   12  P1  UNL     1       3.145   0.383  -1.530  1.00  0.00           P  
HETATM   13  O3  UNL     1       3.452   1.837  -1.318  1.00  0.00           O  
HETATM   14  O4  UNL     1       2.401   0.214  -3.046  1.00  0.00           O  
HETATM   15  O5  UNL     1       4.540  -0.561  -1.493  1.00  0.00           O  
HETATM   16  P2  UNL     1       5.152  -0.714   0.067  1.00  0.00           P  
HETATM   17  O6  UNL     1       4.500  -1.908   0.726  1.00  0.00           O  
HETATM   18  O7  UNL     1       4.804   0.655   0.995  1.00  0.00           O  
HETATM   19  O8  UNL     1       6.817  -0.998  -0.032  1.00  0.00           O  
HETATM   20  P3  UNL     1       7.698   0.216   0.747  1.00  0.00           P  
HETATM   21  O9  UNL     1       7.449   1.575   0.146  1.00  0.00           O  
HETATM   22  O10 UNL     1       9.338  -0.150   0.559  1.00  0.00           O  
HETATM   23  O11 UNL     1       7.361   0.252   2.406  1.00  0.00           O  
HETATM   24  O12 UNL     1      -1.362   0.904   0.278  1.00  0.00           O  
HETATM   25  C9  UNL     1      -3.915   1.721  -0.450  1.00  0.00           C  
HETATM   26  O13 UNL     1      -2.926   2.480  -0.599  1.00  0.00           O  
HETATM   27  N2  UNL     1      -5.171   2.084  -0.814  1.00  0.00           N  
HETATM   28  C10 UNL     1      -6.228   1.266  -0.652  1.00  0.00           C  
HETATM   29  O14 UNL     1      -7.371   1.628  -0.995  1.00  0.00           O  
HETATM   30  H1  UNL     1      -7.859  -0.542   0.893  1.00  0.00           H  
HETATM   31  H2  UNL     1      -7.724  -0.975  -0.896  1.00  0.00           H  
HETATM   32  H3  UNL     1      -6.769  -1.893   0.286  1.00  0.00           H  
HETATM   33  H4  UNL     1      -4.591  -1.300   0.692  1.00  0.00           H  
HETATM   34  H5  UNL     1      -2.443  -0.319   1.550  1.00  0.00           H  
HETATM   35  H6  UNL     1      -1.994  -0.889  -1.418  1.00  0.00           H  
HETATM   36  H7  UNL     1      -2.554  -2.044  -0.087  1.00  0.00           H  
HETATM   37  H8  UNL     1       0.141  -1.725  -0.585  1.00  0.00           H  
HETATM   38  H9  UNL     1      -1.199  -2.793   1.166  1.00  0.00           H  
HETATM   39  H10 UNL     1       0.232   0.314   1.461  1.00  0.00           H  
HETATM   40  H11 UNL     1       1.046   1.688  -0.509  1.00  0.00           H  
HETATM   41  H12 UNL     1       0.437   0.337  -1.570  1.00  0.00           H  
HETATM   42  H13 UNL     1       1.892  -0.656  -3.067  1.00  0.00           H  
HETATM   43  H14 UNL     1       5.141   1.483   0.602  1.00  0.00           H  
HETATM   44  H15 UNL     1       9.862  -0.032   1.370  1.00  0.00           H  
HETATM   45  H16 UNL     1       6.474  -0.149   2.603  1.00  0.00           H  
HETATM   46  H17 UNL     1      -5.331   3.031  -1.235  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    3   28
CONECT    3    4   33
CONECT    4    5   25
CONECT    5    6   24   34
CONECT    6    7   35   36
CONECT    7    8    9   37
CONECT    8   38
CONECT    9   10   24   39
CONECT   10   11   40   41
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   42
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   43
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   44
CONECT   23   45
CONECT   25   26   26   27
CONECT   27   28   46
CONECT   28   29   29
END

HMDB0001342
     RDKit          3D
Thymidine 5'-triphosphate
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1863   -0.8777    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0194    0.0261   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7362   -0.3064    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.5157    0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940    0.0386    0.5065 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9671   -1.1636   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210   -1.2662    0.1575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5997   -2.0085    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106    0.1745    0.4427 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8655    0.5979   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.1502   -0.3737 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    0.3828   -1.5296 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4521    1.8372   -1.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    0.2144   -3.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402   -0.5611   -1.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521   -0.7137    0.0665 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5002   -1.9082    0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.6551    0.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -0.9982   -0.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    0.2158    0.7467 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.4489    1.5752    0.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382   -0.1504    0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614    0.2525    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.9036    0.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9152    1.7206   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    2.4800   -0.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1711    2.0839   -0.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2281    1.2656   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3715    1.6283   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8589   -0.5419    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7238   -0.9749   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7686   -1.8932    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5908   -1.2998    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -0.3192    1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944   -0.8889   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535   -2.0437   -0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.7250   -0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -2.7927    1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    0.3143    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    1.6882   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    0.3366   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.6565   -3.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    1.4829    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8620   -0.0317    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.1488    2.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3313    3.0307   -1.2345 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
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  1
  6 35  1  0
  6 36  1  0
  7 37  1  6
  8 38  1  0
  9 39  1  1
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END

Synonyms

Value	Source
2'-Deoxythymidine triphosphate	ChEBI
5'-TTP	ChEBI
Deoxy-TTP	ChEBI
Deoxythymidine 5'-triphosphate	ChEBI
Deoxythymidine triphosphate	ChEBI
DTHD5'ppp	ChEBI
PPPDT	ChEBI
THYMIDINE-5'-triphosphATE	ChEBI
TTP	ChEBI
2'-Deoxythymidine triphosphoric acid	Generator
Deoxythymidine 5'-triphosphoric acid	Generator
Deoxythymidine triphosphoric acid	Generator
THYMIDINE-5'-triphosphoric acid	Generator
Thymidine 5'-triphosphoric acid	Generator
2'-Deoxythymidine 5'-triphosphate	HMDB
5-Methyl-dUTP	HMDB
dTTP	HMDB
Thymidine mono(tetrahydrogen triphosphate)	HMDB
Thymidine triphosphate	HMDB
Thymidine 5'-triphosphate, magnesium salt	HMDB
Thymidine 5'-triphosphate, trisodium salt	HMDB
2'-Deoxythymidine-5'-triphosphate	HMDB
Thymidine 5'-triphosphate, p''-(32)p-labeled	HMDB
2’-Deoxythymidine 5’-triphosphate	HMDB
2’-Deoxythymidine triphosphate	HMDB
5’-TTP	HMDB
Deoxythymidine 5’-triphosphate	HMDB
Thymidine 5'-triphosphate	HMDB
Thymidine 5’-triphosphate	HMDB

Molecular Formula

C₁₀H₁₇N₂O₁₄P₃

Average Mass

482.1683

Monoisotopic Mass

481.989262798

IUPAC Name

{[hydroxy({[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})phosphoryl]oxy}phosphonic acid

Traditional Name

dTTP

CAS Registry Number

365-08-2

SMILES

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

InChI Identifier

InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

InChI Key

NHVNXKFIZYSCEB-XLPZGREQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate 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 triphosphates

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyrimidine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:18077 )
thymidine phosphate (CHEBI:18077 )
Deoxyribonucleotides (C00459 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	9.52 g/L	ALOGPS
logP	-0.39	ALOGPS
logP	-2.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	0.9	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	238.69 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	88.03 m³·mol⁻¹	ChemAxon
Polarizability	36.6 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9742300000-c721ba5109dede8a518b	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9305110000-bbc51754a929afc4eb54	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-001i-0000900000-d176c8e8a9bdb2d457e5	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-001i-0000900000-d176c8e8a9bdb2d457e5	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00di-0900000000-970154df2a1ed9a84a2f	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 15V, negative	splash10-001i-0000900000-50c7a1492866ca00359d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 18V, negative	splash10-001i-0200900000-dda4f6996cabd8db242f	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 20V, negative	splash10-053r-0602900000-0390bef6ad193f2b5004	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 23V, negative	splash10-0a59-0902600000-2f2a5a489951a9c68992	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 26V, negative	splash10-0a4i-0912200000-1d8c5b170f87fa6f2c9b	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 34V, negative	splash10-0a4i-1921100000-93f84465717aa16d3f7c	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 41V, negative	splash10-0a4i-2920000000-6d1131e45ff20126cf41	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 50V, negative	splash10-0a6r-5910000000-2a9eb44864392efb37c3	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 59V, negative	splash10-056r-9700000000-71a33ac9eaf4e714b558	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 73V, negative	splash10-004i-9200000000-0667d2c3d019b5ca17bc	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 33V, negative	splash10-001i-0209200000-ed0d460f9e1d08011f06	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 33V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 33V, negative	splash10-0a4i-0190000000-e8bf71168cfd7e675dca	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 33V, negative	splash10-001r-0019000000-d84a6f61ca04e6970204	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 16V, negative	splash10-001i-0009000000-6f966eb3b101b9fadfbe	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 18V, negative	splash10-001i-0019000000-f7153b7fadabb2f7f79f	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-9c496d7377af5eb651b2	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-2901000000-99a48a5d17f022d6494c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-4900000000-889ecd9966747af96efe	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-053i-1410900000-cc4f8db45f53046b5380	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057r-9870100000-6cf02bd6b66f7b822525	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-cde9ec4f970230e9f180	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	629.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	501.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	153.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	340.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	283.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	224.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	450.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	737.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	450.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	155.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	263.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	172.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	48.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	580.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	773.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	57.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	266.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	611.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	579.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Thymidine 5'-triphosphate_TMS_1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	2077.78
Gas Chromatography	Thymidine 5'-triphosphate_TMS_2	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1889.67
Gas Chromatography	Thymidine 5'-triphosphate_TMS_3	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	2026.0
Gas Chromatography	Thymidine 5'-triphosphate_TMS_4	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	932.399
Gas Chromatography	Thymidine 5'-triphosphate_TMS_5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1600.63
Gas Chromatography	Thymidine 5'-triphosphate_TMS_6	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2085.41
Gas Chromatography	Thymidine 5'-triphosphate_TMS_7	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	1565.68
Gas Chromatography	Thymidine 5'-triphosphate_TMS_8	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	2860.71
Gas Chromatography	Thymidine 5'-triphosphate_TMS_9	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2452.94
Gas Chromatography	Thymidine 5'-triphosphate_TMS_10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2383.82
Gas Chromatography	Thymidine 5'-triphosphate_TMS_11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2531.13
Gas Chromatography	Thymidine 5'-triphosphate_TMS_12	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1650.96
Gas Chromatography	Thymidine 5'-triphosphate_TMS_13	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	1274.65
Gas Chromatography	Thymidine 5'-triphosphate_TMS_14	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1873.19
Gas Chromatography	Thymidine 5'-triphosphate_TMS_15	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1264.29
Gas Chromatography	Thymidine 5'-triphosphate_TMS_16	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1245.85
Gas Chromatography	Thymidine 5'-triphosphate_TMS_17	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1557.28
Gas Chromatography	Thymidine 5'-triphosphate_TMS_18	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1520.72
Gas Chromatography	Thymidine 5'-triphosphate_TMS_19	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1275.62
Gas Chromatography	Thymidine 5'-triphosphate_TMS_20	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard non polar	2025-10-23	1375.06
Gas Chromatography	Thymidine 5'-triphosphate_TMS_21	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2380.59
Gas Chromatography	Thymidine 5'-triphosphate_TMS_22	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	3356.26
Gas Chromatography	Thymidine 5'-triphosphate_TMS_23	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1999.15
Gas Chromatography	Thymidine 5'-triphosphate_TMS_24	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1726.09
Gas Chromatography	Thymidine 5'-triphosphate_TMS_25	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	857.076
Gas Chromatography	Thymidine 5'-triphosphate_TMS_26	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1599.93
Gas Chromatography	Thymidine 5'-triphosphate_TMS_27	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2514.65
Gas Chromatography	Thymidine 5'-triphosphate_TMS_28	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1956.13
Gas Chromatography	Thymidine 5'-triphosphate_TMS_29	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2789.59
Gas Chromatography	Thymidine 5'-triphosphate_TMS_30	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1846.3
Gas Chromatography	Thymidine 5'-triphosphate_TMS_31	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2630.88
Gas Chromatography	Thymidine 5'-triphosphate_TMS_32	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1946.0
Gas Chromatography	Thymidine 5'-triphosphate_TMS_33	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1049.07
Gas Chromatography	Thymidine 5'-triphosphate_TMS_34	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1519.47
Gas Chromatography	Thymidine 5'-triphosphate_TMS_35	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2076.17
Gas Chromatography	Thymidine 5'-triphosphate_TMS_36	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	3361.65
Gas Chromatography	Thymidine 5'-triphosphate_TMS_37	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2738.69
Gas Chromatography	Thymidine 5'-triphosphate_TMS_38	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1440.28
Gas Chromatography	Thymidine 5'-triphosphate_TMS_39	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	3278.26
Gas Chromatography	Thymidine 5'-triphosphate_TMS_40	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1842.63
Gas Chromatography	Thymidine 5'-triphosphate_TMS_41	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	2644.52
Gas Chromatography	Thymidine 5'-triphosphate_TMS_42	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	2034.46
Gas Chromatography	Thymidine 5'-triphosphate_TMS_43	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	3014.55
Gas Chromatography	Thymidine 5'-triphosphate_TMS_44	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1170.1
Gas Chromatography	Thymidine 5'-triphosphate_TMS_45	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard non polar	2025-10-23	1894.23
Gas Chromatography	Thymidine 5'-triphosphate_TMS_46	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard non polar	2025-10-23	1764.94
Gas Chromatography	Thymidine 5'-triphosphate_TMS_1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	3207.0
Gas Chromatography	Thymidine 5'-triphosphate_TMS_2	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1583.96
Gas Chromatography	Thymidine 5'-triphosphate_TMS_3	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	1469.16
Gas Chromatography	Thymidine 5'-triphosphate_TMS_4	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	1165.74
Gas Chromatography	Thymidine 5'-triphosphate_TMS_5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2084.35
Gas Chromatography	Thymidine 5'-triphosphate_TMS_6	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1867.41
Gas Chromatography	Thymidine 5'-triphosphate_TMS_7	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	2619.94
Gas Chromatography	Thymidine 5'-triphosphate_TMS_8	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	2469.55
Gas Chromatography	Thymidine 5'-triphosphate_TMS_9	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2121.5
Gas Chromatography	Thymidine 5'-triphosphate_TMS_10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	3216.96
Gas Chromatography	Thymidine 5'-triphosphate_TMS_11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1726.75
Gas Chromatography	Thymidine 5'-triphosphate_TMS_12	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1171.41
Gas Chromatography	Thymidine 5'-triphosphate_TMS_13	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	1807.4
Gas Chromatography	Thymidine 5'-triphosphate_TMS_14	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	1909.81
Gas Chromatography	Thymidine 5'-triphosphate_TMS_15	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2145.93
Gas Chromatography	Thymidine 5'-triphosphate_TMS_16	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2528.37
Gas Chromatography	Thymidine 5'-triphosphate_TMS_17	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	2676.21
Gas Chromatography	Thymidine 5'-triphosphate_TMS_18	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1758.86
Gas Chromatography	Thymidine 5'-triphosphate_TMS_19	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1367.55
Gas Chromatography	Thymidine 5'-triphosphate_TMS_20	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O	standard polar	2025-10-23	2283.37
Gas Chromatography	Thymidine 5'-triphosphate_TMS_21	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	845.677
Gas Chromatography	Thymidine 5'-triphosphate_TMS_22	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2323.48
Gas Chromatography	Thymidine 5'-triphosphate_TMS_23	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2253.76
Gas Chromatography	Thymidine 5'-triphosphate_TMS_24	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1302.32
Gas Chromatography	Thymidine 5'-triphosphate_TMS_25	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1981.73
Gas Chromatography	Thymidine 5'-triphosphate_TMS_26	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	2218.11
Gas Chromatography	Thymidine 5'-triphosphate_TMS_27	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	2886.1
Gas Chromatography	Thymidine 5'-triphosphate_TMS_28	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2278.16
Gas Chromatography	Thymidine 5'-triphosphate_TMS_29	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	1233.41
Gas Chromatography	Thymidine 5'-triphosphate_TMS_30	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2500.2
Gas Chromatography	Thymidine 5'-triphosphate_TMS_31	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	912.082
Gas Chromatography	Thymidine 5'-triphosphate_TMS_32	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	3179.54
Gas Chromatography	Thymidine 5'-triphosphate_TMS_33	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	2805.57
Gas Chromatography	Thymidine 5'-triphosphate_TMS_34	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1722.88
Gas Chromatography	Thymidine 5'-triphosphate_TMS_35	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2121.36
Gas Chromatography	Thymidine 5'-triphosphate_TMS_36	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2414.65
Gas Chromatography	Thymidine 5'-triphosphate_TMS_37	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	2859.69
Gas Chromatography	Thymidine 5'-triphosphate_TMS_38	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1829.88
Gas Chromatography	Thymidine 5'-triphosphate_TMS_39	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	2406.24
Gas Chromatography	Thymidine 5'-triphosphate_TMS_40	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	893.071
Gas Chromatography	Thymidine 5'-triphosphate_TMS_41	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	1857.14
Gas Chromatography	Thymidine 5'-triphosphate_TMS_42	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1972.18
Gas Chromatography	Thymidine 5'-triphosphate_TMS_43	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1714.58
Gas Chromatography	Thymidine 5'-triphosphate_TMS_44	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1955.13
Gas Chromatography	Thymidine 5'-triphosphate_TMS_45	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O	standard polar	2025-10-23	1445.35
Gas Chromatography	Thymidine 5'-triphosphate_TMS_46	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C	standard polar	2025-10-23	1647.25

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
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
MMDBp0192097	Inosine triphosphate pyrophosphatase	Unknown	Q9BY32	Homo sapiens
MMDBp0192371	DNA-directed RNA polymerase II subunit RPB2	Unknown	P30876	Homo sapiens
MMDBp0192373	DNA-directed RNA polymerase II subunit RPB1	Unknown	P24928	Homo sapiens
MMDBp0192374	DNA-directed RNA polymerase, mitochondrial	Enzyme	O00411	Homo sapiens
MMDBp0192375	DNA-directed RNA polymerase I subunit RPA2	Enzyme	Q9H9Y6	Homo sapiens
MMDBp0192378	DNA-directed RNA polymerase III subunit RPC2	Enzyme	Q9NW08	Homo sapiens
MMDBp0192568	DNA polymerase beta	Unknown	P06746	Homo sapiens
MMDBp0192569	DNA polymerase alpha catalytic subunit	Enzyme	P09884	Homo sapiens
MMDBp0192570	DNA polymerase delta subunit 3	Enzyme	Q15054	Homo sapiens
MMDBp0192571	DNA polymerase lambda	Unknown	Q9UGP5	Homo sapiens
MMDBp0192572	DNA polymerase epsilon subunit 4	Enzyme	Q9NR33	Homo sapiens
MMDBp0192573	DNA polymerase eta	Unknown	Q9Y253	Homo sapiens
MMDBp0192574	DNA polymerase delta catalytic subunit	Enzyme	P28340	Homo sapiens
MMDBp0192575	DNA polymerase zeta catalytic subunit	Enzyme	O60673	Homo sapiens
MMDBp0192576	DNA polymerase epsilon catalytic subunit A	Enzyme	Q07864	Homo sapiens
MMDBp0192577	DNA-directed DNA/RNA polymerase mu	Unknown	Q9NP87	Homo sapiens
MMDBp0192578	DNA polymerase kappa	Unknown	Q9UBT6	Homo sapiens
MMDBp0192579	DNA polymerase epsilon subunit 3	Enzyme	Q9NRF9	Homo sapiens
MMDBp0192580	DNA polymerase subunit gamma-1	Unknown	P54098	Homo sapiens
MMDBp0192581	DNA polymerase iota	Unknown	Q9UNA4	Homo sapiens
MMDBp0192582	DNA polymerase epsilon subunit 2	Enzyme	P56282	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
MMDBp0196023	DNA-directed RNA polymerase III subunit RPC1	Enzyme	O14802	Homo sapiens
MMDBp0196024	DNA-directed RNA polymerase I subunit RPA1	Enzyme	O95602	Homo sapiens
MMDBp0196042	Myb-binding protein 1A	Enzyme	Q9BQG0	Homo sapiens
MMDBp0196043	DNA polymerase theta	Enzyme	O75417	Homo sapiens
MMDBp0196788	DNA polymerase delta subunit 2	Unknown	P49005
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597
MMDBp0196934	DNA primase small subunit	Unknown	P49642
MMDBp0196935	DNA primase large subunit	Unknown	P49643

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
Adenine ribonucleotide biosynthesis		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Shewanella denitrificans OS217 Acinetobacter baumannii Alistipes finegoldii DSM 17242 Arcobacter butzleri RM4018 Bacillus cereus AH187 (F4810/72) Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Bifidobacterium longum DJO10A Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium saccharolyticum Clostridium sticklandii Haemophilus parainfluenzae T3T1 Megamonas hypermegale Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Porphyromonas asaccharolytica DSM 20707 Porphyromonas endodontalis ATCC 35406 Porphyromonas gingivalis ATCC 33277 Prevotella intermedia Prevotella ruminicola 23 Pelobacter carbinolicus Comamonas testosteroni Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Bacteroides uniformis Syntrophomonas wolfei Desulfovibrio salexigens Desulfovibrio piger Bacillus mycoides Bacillus thuringiensis Thermotoga neapolitana Roseobacter denitrificans Staphylococcus lugdunensis Alistipes putredinis Pelobacter propionicus Eubacterium brachy Thiobacillus denitrificans Sulfurimonas denitrificans Mitsuokella multacida Blautia hydrogenotrophica Enterobacter cancerogenus Alloprevotella tannerae Bacillus selenitireducens Achromobacter xylosoxidans Pelotomaculum thermopropionicum Citrobacter youngae Prevotella copri Ilyobacter polytropus Anaerotruncus colihominis Desulfovibrio magneticus Shewanella denitrificans Bacteroides massiliensis Escherichia albertii Dialister invisus Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Geobacter lovleyi Syntrophus aciditrophicus Bacteroides intestinalis Bacteroides salanitronis Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Clostridium beijerinckii Haemophilus parainfluenzae Klebsiella variicola Odoribacter splanchnicus Porphyromonas asaccharolytica Prevotella ruminicola Barnesiella intestinihominis Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Bacillus cereus ATCC 10987 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Citrobacter koseri ATCC BAA-895 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Mesorhizobium loti MAFF303099 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Porphyromonas gingivalis W83 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis ATCC 12228 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Barnesiella intestinihominis YIT 11860 Porphyromonas endodontalis Porphyromonas uenonis 60-3 Alloprevotella tannerae ATCC 51259 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella buccae ATCC 33574 Prevotella denticola Prevotella disiens FB035-09AN Prevotella loescheii DSM 19665 = JCM 12249 = ATCC 15930 Prevotella oralis ATCC 33269 Prevotella pallens ATCC 700821 Prevotella salivae DSM 15606 Prevotella shahii DSM 15611 = JCM 12083 Prevotella timonensis CRIS 5C-B1 Alistipes indistinctus YIT 12060 Alistipes putredinis DSM 17216 Parabacteroides sp. D13 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Cetobacterium somerae ATCC BAA-474 Rhizobium etli Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Aeromonas caviae Aeromonas media Aeromonas veronii Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Aggregatibacter aphrophilus Haemophilus haemolyticus Haemophilus sputorum Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Treponema denticola Cellulosimicrobium cellulans Paenibacillus lactis 154 Exiguobacterium aurantiacum Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Pseudoramibacter alactolyticus ATCC 23263 Blautia hydrogenotrophica DSM 10507 Clostridium citroniae WAL-17108 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Eubacterium brachy ATCC 33089 Mitsuokella multacida DSM 20544 Dialister invisus DSM 15470 Megasphaera elsdenii Peptoniphilus indolicus ATCC 29427 Ralstonia eutropha H16 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Bifidobacterium longum subsp. infantis Lachnoclostridium phytofermentans ISDg Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Carboxydothermus hydrogenoformans Z-2901 Clostridium tetani E88 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Deinococcus geothermalis DSM 11300 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Meiothermus ruber DSM 1279 Dictyoglomus turgidum DSM 6724 Pelotomaculum thermopropionicum SI Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Arcobacter nitrofigilis DSM 7299 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Chloroherpeton thalassium ATCC 35110 Citrobacter rodentium ICC168 Coprothermobacter proteolyticus DSM 5265 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Deinococcus deserti VCD115 Desulfomicrobium baculatum DSM 4028 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Geobacter lovleyi SZ Haemophilus influenzae F3047 Hahella chejuensis KCTC 2396 Halothiobacillus neapolitanus c2 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hydrogenobacter thermophilus TK-6 Ilyobacter polytropus DSM 2926 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Kosmotoga olearia TBF 19.5.1 Leptothrix cholodnii SP-6 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Chromobacterium violaceum ATCC 12472 Syntrophomonas wolfei subsp. wolfei str. Goettingen Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Dictyoglomus thermophilum H-6-12 Thermanaerovibrio acidaminovorans DSM 6589 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Pasteurella multocida subsp. multocida str. Pm70 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Pelodictyon phaeoclathratiforme BU-1 Persephonella marina EX-H1 Petrotoga mobilis SJ95 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas sp. JS666 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodospirillum centenum SW Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas denitrificans DSM 1251 Sulfurimonas autotrophica DSM 16294 Sulfurovum sp. NBC37-1 Synechococcus sp. PCC 7002 Syntrophus aciditrophicus SB Teredinibacter turnerae T7901 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Treponema brennaborense DSM 12168 Variovorax paradoxus EPS Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
O-Antigen Building Blocks Biosynthesis
Purine Nucleotides De Novo Biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Escherichia coli CFT073 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Salmonella enterica Shewanella denitrificans OS217 Megamonas hypermegale Pseudomonas fluorescens Pseudomonas putida Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Vibrio vulnificus Corynebacterium diphtheriae Thiobacillus denitrificans Enterobacter cancerogenus Methylibium petroleiphilum Citrobacter youngae Shewanella denitrificans Escherichia albertii Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Edwardsiella tarda FL6-60 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella flexneri 5 str. 8401 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Ralstonia eutropha H16 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Candidatus Desulforudis audaxviator MP104C Corynebacterium diphtheriae NCTC 13129 Klebsiella aerogenes KCTC 2190 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Rhodoferax ferrireducens T118 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Herminiimonas arsenicoxydans Klebsiella pneumoniae 342 Marinobacter aquaeolei VT8 Methylibium petroleiphilum PM1 Methylotenera mobilis JLW8 Chromobacterium violaceum ATCC 12472 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Polaromonas sp. JS666 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Salmonella enterica subsp. enterica serovar Paratyphi A str. Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shigella flexneri 2a str. 301 Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Purine Nucleotides De Novo Biosynthesis 2
Rhamnolipid Biosynthesis		Pseudomonas aeruginosa Escherichia coli UTI89 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Mycobacterium tuberculosis Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Clostridium acetobutylicum ATCC 824 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Lactobacillus fermentum IFO 3956 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acidaminococcus fermentans DSM 20731 Acidaminococcus intestini RyC-MR95 Acinetobacter baumannii Alistipes finegoldii DSM 17242 Anaerostipes caccae Anaerostipes hadrus Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Bifidobacterium animalis subsp. lactis Bifidobacterium longum Blautia obeum A2-162 Blautia obeum ATCC 29174 Clostridium beijerinckii NCIMB 8052 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Coprococcus catus GD/7 Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Eggerthella lenta DSM 2243 Enterococcus faecalis Enterococcus hirae ATCC 9790 Eubacterium eligens ATCC 27750 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Lactobacillus paracasei Lactobacillus reuteri Methanobrevibacter smithii Methanobrevibacter smithii ATCC 35061 Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Porphyromonas asaccharolytica DSM 20707 Porphyromonas endodontalis ATCC 35406 Porphyromonas gingivalis ATCC 33277 Prevotella intermedia Prevotella ruminicola 23 Roseburia hominis A2-183 Ruminococcus champanellensis 18P13 = JCM 17042 Ruminococcus torques L2-14 Streptococcus salivarius Pelobacter carbinolicus Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Neisseria flavescens Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Bacteroides uniformis Fusobacterium periodonticum Fusobacterium ulcerans Desulfovibrio salexigens Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Capnocytophaga ochracea Capnocytophaga sputigena Chlorobium phaeobacteroides Leuconostoc mesenteroides Ruminococcus albus Deinococcus radiodurans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Lancefieldella rimae Bacillus licheniformis Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Moorella thermoacetica Weissella confusa Lactobacillus delbrueckii Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus coryniformis Lactobacillus salivarius Actinomyces viscosus Cellulomonas flavigena Corynebacterium diphtheriae Mycobacterium avium Desulfobacterium autotrophicum Methanosphaera stadtmanae Thermotoga neapolitana Xylella fastidiosa Roseobacter denitrificans Acidothermus cellulolyticus Alistipes putredinis Neisseria subflava Pelobacter propionicus Caldicellulosiruptor bescii Enterococcus avium Lactobacillus johnsonii Thiobacillus denitrificans Enterococcus casseliflavus Eubacterium eligens Stenotrophomonas maltophilia Leptotrichia buccalis Actinosynnema mirum Enterococcus cecorum Streptococcus cristatus Enterococcus durans Blautia hydrogenotrophica Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Streptococcus peroris Alloprevotella tannerae Streptococcus constellatus Methanobrevibacter ruminantium Clostridium methylpentosum Achromobacter xylosoxidans Burkholderia multivorans Dorea longicatena Burkholderia cenocepacia Methylibium petroleiphilum Syntrophobacter fumaroxidans Leuconostoc kimchii Collinsella stercoris Streptococcus lutetiensis Burkholderia ambifaria Prevotella copri Ilyobacter polytropus Marvinbryantia formatexigens Anaerotruncus colihominis Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Bacteroides massiliensis Escherichia albertii Subdoligranulum variabile Lactobacillus antri Lactobacillus ultunensis Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Geobacter lovleyi Streptococcus gallolyticus Syntrophus aciditrophicus Bacteroides intestinalis Bacteroides salanitronis Coprococcus comes Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Blautia obeum Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Enterococcus faecium Enterococcus hirae Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Lactobacillus ruminis Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Porphyromonas asaccharolytica Prevotella ruminicola Streptococcus parasanguinis Streptococcus suis Streptococcus thermophiles Barnesiella intestinihominis Achromobacter xylosoxidans A8 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Arcanobacterium haemolyticum DSM 20595 Atopobium parvulum DSM 20469 Bacillus cereus ATCC 10987 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bifidobacterium animalis subsp. lactis AD011 Capnocytophaga ochracea DSM 7271 Clostridium perfringens str. 13 Clostridium botulinum B1 str. Okra Clostridium sp. SY8519 Corynebacterium kroppenstedtii DSM 44385 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus casei ATCC 334 Lactobacillus amylovorus GRL 1112 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris SK11 Lactococcus lactis subsp. cremoris MG1363 Laribacter hongkongensis HLHK9 Leptotrichia buccalis C-1013-b Leuconostoc mesenteroides subsp. mesenteroides ATCC 8293 Mesorhizobium loti MAFF303099 Methanobrevibacter ruminantium M1 Methanosphaera stadtmanae DSM 3091 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Mobiluncus curtisii ATCC 43063 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Neisseria gonorrhoeae FA 1090 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Tropheryma whipplei str. Twist Bifidobacterium animalis subsp. lactis CNCM I-2494 Porphyromonas gingivalis W83 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Ruminococcus albus 7 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus thermophilus LMG 18311 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus equi subsp. equi 4047 Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Aquifex aeolicus Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Barnesiella intestinihominis YIT 11860 Butyricimonas virosa Odoribacter laneus YIT 12061 Porphyromonas endodontalis Porphyromonas uenonis 60-3 Alloprevotella tannerae ATCC 51259 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella buccae ATCC 33574 Prevotella denticola Prevotella disiens FB035-09AN Prevotella loescheii DSM 19665 = JCM 12249 = ATCC 15930 Prevotella oralis ATCC 33269 Prevotella pallens ATCC 700821 Prevotella salivae DSM 15606 Prevotella shahii DSM 15611 = JCM 12083 Prevotella timonensis CRIS 5C-B1 Alistipes indistinctus YIT 12060 Alistipes putredinis DSM 17216 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Spirosoma linguale Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Fusobacterium periodonticum 1_1_41FAA Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Parasutterella excrementihominis YIT 11859 Sutterella parvirubra Sutterella parvirubra YIT 11816 Laribacter hongkongensis Eikenella corrodens Eikenella corrodens ATCC 23834 Kingella oralis Kingella oralis ATCC 51147 Neisseria cinerea ATCC 14685 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Desulfococcus oleovorans Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Salmonella enterica subsp. enterica serovar Typhimurium Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Providencia stuartii ATCC 25827 Yersinia enterocolitica Plesiomonas shigelloides 302-73 Legionella pneumophila Actinobacillus pleuropneumoniae Acinetobacter johnsonii Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces viscosus C505 Mobiluncus curtisii Trueperella pyogenes Bifidobacterium boum Corynebacterium amycolatum Corynebacterium durum Corynebacterium durum F0235 Gordonia terrae C-6 Rhodococcus erythropolis Cellulosimicrobium cellulans Tropheryma whipplei Streptomyces avermitilis Thermomonospora curvata Lancefieldella rimae ATCC 49626 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Bacillus altitudinis Bacillus infantis NRRL B-14911 Listeria monocytogenes 10403S Paenibacillus lactis 154 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus ultunensis DSM 16047 Lactobacillus ruminis ATCC 25644 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus antri DSM 16041 Lactobacillus gastricus PS3 Lactobacillus mucosae LM1 Lactobacillus reuteri CF48-3A Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus pentosaceus Leuconostoc lactis Leuconostoc mesenteroides subsp. cremoris ATCC 19254 Oenococcus oeni Weissella paramesenteroides Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus lutetiensis 033 Streptococcus vestibularis F0396 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 [Eubacterium] cellulosolvens 6 Pseudoramibacter alactolyticus ATCC 23263 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Dorea longicatena DSM 13814 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] symbiosum WAL-14163 Lachnospira multipara [Ruminococcus] gnavus ATCC 29149 Oribacterium sinus F0268 Roseburia inulinivorans DSM 16841 Anaerotruncus colihominis DSM 17241 Ruminococcus champanellensis Subdoligranulum variabile DSM 15176 [Clostridium] leptum DSM 753 [Bacteroides] pectinophilus ATCC 43243 [Clostridium] innocuum 2959 Clostridium spiroforme [Clostridium] spiroforme DSM 1552 Kandleria vitulina Kandleria vitulina DSM 20405 Acidaminococcus intestini Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Bifidobacterium longum subsp. longum Eggerthella sp. YY7918 Faecalitalea cylindroides T2-87 Lachnoclostridium phytofermentans ISDg Lactobacillus ruminis ATCC 27782 Leuconostoc citreum KM20 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Amycolatopsis mediterranei U32 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Beutenbergia cavernae DSM 12333 Butyrivibrio proteoclasticus B316 Caldicellulosiruptor bescii DSM 6725 Candidatus Desulforudis audaxviator MP104C Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium thermocellum ATCC 27405 Conexibacter woesei DSM 14684 Corynebacterium jeikeium K411 Corynebacterium urealyticum DSM 7109 Corynebacterium resistens DSM 45100 Deinococcus radiodurans R1 Desulfotomaculum reducens MI-1 Frankia alni ACN14a Frankia sp. EuI1c Gardnerella vaginalis ATCC 14019 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Kribbella flavida DSM 17836 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Meiothermus ruber DSM 1279 Mycobacterium leprae TN Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium leprae Br4923 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Oceanobacillus iheyensis HTE831 Oenococcus oeni PSU-1 Pseudonocardia dioxanivorans CB1190 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Sanguibacter keddieii DSM 10542 Slackia heliotrinireducens DSM 20476 Sphaerobacter thermophilus DSM 20745 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus wentii Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium thymicola Penicillium vulpinum Trichoderma arundinaceum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Leuconostoc mesenteroides subsp. cremoris Anaerobutyricum hallii DSM 3353 Absiella dolichum DSM 3991 Holdemanella biformis DSM 3989 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Treponema succinifaciens DSM 2489 Halanaerobium hydrogeniformans Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N Brachyspira hyodysenteriae WA1 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Amoebophilus asiaticus 5a2 Candidatus Azobacteroides pseudotrichonymphae genomovar. CFP2 Candidatus Liberibacter asiaticus str. psy62 Candidatus Protochlamydia amoebophila UWE25 Capnocytophaga canimorsus Cc5 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Cellvibrio japonicus Ueda107 Chitinophaga pinensis DSM 2588 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chloroherpeton thalassium ATCC 35110 Citrobacter rodentium ICC168 Coxiella burnetii RSA 493 Coxiella burnetii Dugway 5J108-111 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Deinococcus deserti VCD115 Desulfitobacterium hafniense DCB-2 Desulfobacterium autotrophicum HRM2 Desulfococcus oleovorans Hxd3 Desulfomicrobium baculatum DSM 4028 Desulfotalea psychrophila LSv54 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Enterobacter cloacae SCF1 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Flavobacterium psychrophilum JIP02/86 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Gramella forsetii KT0803 Granulibacter bethesdensis CGDNIH1 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Halorhabdus utahensis DSM 12940 Halothiobacillus neapolitanus c2 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Ilyobacter polytropus DSM 2926 Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Lawsonia intracellularis PHE/MN1-00 Leadbetterella byssophila DSM 17132 Legionella pneumophila subsp. pneumophila str. Philadelphia 1 Legionella pneumophila str. Lens Leifsonia xyli subsp. xyli str. CTCB07 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Maricaulis maris MCS10 Marinobacter aquaeolei VT8 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Methylotenera mobilis JLW8 Methylovorus glucosetrophus SIP3-4 Microbacterium testaceum StLB037 Microcystis aeruginosa NIES-843 Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Nitrosospira multiformis ATCC 25196 Candidatus Korarchaeum cryptofilum OPF8 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Nitrosomonas europaea ATCC 19718 Chromobacterium violaceum ATCC 12472 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Alteromonas macleodii str. 'Deep ecotype' Dictyoglomus thermophilum H-6-12 Thermanaerovibrio acidaminovorans DSM 6589 Calditerrivibrio nitroreducens DSM 19672 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Pectobacterium atrosepticum SCRI1043 Pedobacter heparinus DSM 2366 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Pelodictyon phaeoclathratiforme BU-1 Phenylobacterium zucineum HLK1 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus str. NATL2A Prochlorococcus marinus str. NATL1A Prochlorococcus marinus str. MIT 9303 Prochlorococcus marinus str. MIT 9215 Prosthecochloris aestuarii DSM 271 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychrobacter arcticus 273-4 Psychrobacter cryohalolentis K5 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria sp. TM1040 Salinibacter ruber DSM 13855 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Segniliparus rotundus DSM 44985 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas autotrophica DSM 16294 Sulfurovum sp. NBC37-1 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Syntrophobacter fumaroxidans MPOB Syntrophus aciditrophicus SB Teredinibacter turnerae T7901 Thermocrinis albus DSM 14484 Thermomicrobium roseum DSM 5159 Thermoplasma volcanium GSS1 Thermosipho melanesiensis BI429 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Treponema brennaborense DSM 12168 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Weeksella virosa DSM 16922 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xylella fastidiosa 9a5c Xylella fastidiosa Temecula1 Xylella fastidiosa M23 Zunongwangia profunda SM-A87 Sphingobacterium paucimobilis HER1398 Neisseria meningitidis serogroup C Klebsiella michiganensis KCTC 1686 Hungatella hathewayi DSM 13479

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018626	dTDP	Thymidine 5'-triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018669	Thymidine 5'-triphosphate	dTDP-D-Glucose	Glucose-1-phosphate thymidylyltransferase 1		PathBank	31602464
MMDBr0018670	Thymidine 5'-triphosphate	dTDP-D-Glucose	Glucose-1-phosphate thymidylyltransferase 2		PathBank	31602464
MMDBr0019238	Thymidine 5'-triphosphate	TDP-Glucose	Glucose-1-phosphate thymidylyltransferase 2		PathBank	31602464
MMDBr0019798	dTDP	Thymidine 5'-triphosphate	Unknown Protein		PathBank	31602464

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	4	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Turkey ; Chicken	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	438	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	342	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Turkey ; Chicken	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	134	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	133	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human subgingival plaque; Human supragingival plaque; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	8	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	5	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria	Actinobacteria	2	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
Archaea/Archaea	Crenarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Aquificae	1
Bacteria/Eubacteria	Chlamydiae	8	Human ; Sheep ; Cat
Bacteria/Eubacteria	Chlorobi	6
Bacteria/Eubacteria	Chloroflexi	4
Bacteria/Eubacteria	Deinococcus-thermus	4
Bacteria/Eubacteria	Dictyoglomi	2
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Cyanobacteria	1
Bacteria/Eubacteria	Acidobacteria	1
Archaea/Archaea	Euryarchaeota	10		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Thermotogae	5

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

HMDB0001342

DrugBank ID

DB02452

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Deoxythymidine_Triphosphate

METLIN ID

Not Available

PubChem Compound

64968

PDB ID

Not Available

ChEBI ID

18077

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Schultes BC, Fischbach E, Dahlmann N: Purification and characterization of two different thymidine-5'-triphosphosphate-hydrolysing enzymes in human serum. Biol Chem Hoppe Seyler. 1992 May;373(5):237-47. doi: 10.1515/bchm3.1992.373.1.237. [PubMed:1320895 ]
Dahlmann N, Ueckermann C: Separation of deoxythymidine-5'-triphosphatase from unspecific hydrolases. A recommended micromethod in the diagnostic evaluation of human carcinoma. Anticancer Res. 1984 Jul-Oct;4(4-5):299-303. [PubMed:6091528 ]
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 ]

Showing metabocard for Thymidine 5'-triphosphate (MMDBc0029624)

MOL for #<Metabolite:0x00005624ca19edb8>

3D MOL for #<Metabolite:0x00005624ca19edb8>

3D SDF for #<Metabolite:0x00005624ca19edb8>

3D-SDF for #<Metabolite:0x00005624ca19edb8>

PDB for #<Metabolite:0x00005624ca19edb8>

3D PDB for #<Metabolite:0x00005624ca19edb8>

SMILES for #<Metabolite:0x00005624ca19edb8>

INCHI for #<Metabolite:0x00005624ca19edb8>

Structure for #<Metabolite:0x00005624ca19edb8>

3D Structure for #<Metabolite:0x00005624ca19edb8>