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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (43) Show 43 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:46:10 UTC

HMDB ID

HMDB0001342

Secondary Accession Numbers

HMDB01342

Metabolite Identification

Common Name

Thymidine 5'-triphosphate

Description

Deoxythymidine triphosphate (dTTP) is one of the four nucleoside triphosphates that are used in the in vivo synthesis of DNA. Unlike the other deoxyribonucleoside triphosphates, thymidine triphosphate does not always contain the "deoxy" prefix in its name. The corresponding ribonucleoside triphosphate is called uridine triphosphate. Thymidine 5'-triphosphate, also known as TTP or DTHD5'ppp, 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. Thymidine 5'-triphosphate exists in all living species, ranging from bacteria to humans. Outside of the human body, Thymidine 5'-triphosphate has been detected, but not quantified in several different foods, such as elliott's blueberries, mamey sapotes, sesames, alliums, and sweet oranges.

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>
HMDB0001342

> <DATABASE_NAME>
hmdb

> <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

View in JSmol View NMR Assignments View Stereo Labels

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

Chemical Formula

C₁₀H₁₇N₂O₁₄P₃

Average Molecular Weight

482.1683

Monoisotopic Molecular Weight

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

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

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Mitochondria (HMDB: HMDB0001342)
Nucleus (HMDB: HMDB0001342)

Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Gooseberry (FooDB: FOOD00157)
Loganberry (FooDB: FOOD00400)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
Common grape (FooDB: FOOD00204)
American cranberry (FooDB: FOOD00192)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Cloudberry (FooDB: FOOD00161)
Black chokeberry (FooDB: FOOD00136)
Black raspberry (FooDB: FOOD00163)
Lowbush blueberry (FooDB: FOOD00189)
Rowanberry (FooDB: FOOD00176)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Elliott's blueberry (FooDB: FOOD00210)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
Evergreen huckleberry (FooDB: FOOD00222)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Jostaberry (FooDB: FOOD00257)
Half-highbush blueberry (FooDB: FOOD00248)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Nanking cherry (FooDB: FOOD00885)
Saskatoon berry (FooDB: FOOD00884)
Redcurrant (FooDB: FOOD00156)
Blackcurrant (FooDB: FOOD00155)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Bilberry (FooDB: FOOD00193)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Red grape (FooDB: FOOD00965)
Green grape (FooDB: FOOD00964)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Goji (FooDB: FOOD00982)
Wampee (FooDB: FOOD00980)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)
Date (FooDB: FOOD00135)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)
Mikan (FooDB: FOOD00932)
Sour orange (FooDB: FOOD00918)
Clementine (FooDB: FOOD00959)

Tropical fruit

Drupe

Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)

Pome

Fruits (FooDB: FOOD00871)

Vegetable

Leaf vegetable

Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Chicory leaves (FooDB: FOOD00250)
Rocket salad (FooDB: FOOD00244)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Swiss chard (FooDB: FOOD00237)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Root vegetable

Tuber

Cabbage

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)

Mushroom

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Narrowleaf cattail (FooDB: FOOD00564)
Agave (FooDB: FOOD00563)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)
Heart of palm (FooDB: FOOD00718)

Fruit vegetable

Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)
Avocado (FooDB: FOOD00130)
Eggplant (FooDB: FOOD00174)
Groundcherry (FooDB: FOOD00371)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Stalk vegetable

Shoot vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Castanospermum australe (FooDB: FOOD00893)
Juniperus communis (FooDB: FOOD00895)
Gentiana lutea (FooDB: FOOD00894)
Albizia gummifera (FooDB: FOOD00896)

Herbs and Spices (FooDB: FOOD00866)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Pulse

Lentil

Lentils (FooDB: FOOD00098)

Pea

Bean

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)
Green lentil (FooDB: FOOD00970)

Cereal and cereal product

Cereal product

Cereal

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Gourd

Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Cucumber (FooDB: FOOD00065)
Chayote (FooDB: FOOD00325)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Nut

Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Butternut (FooDB: FOOD00316)
Beech nut (FooDB: FOOD00299)
European chestnut (FooDB: FOOD00363)
Chinese chestnut (FooDB: FOOD00331)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Colorado pinyon (FooDB: FOOD00433)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Black walnut (FooDB: FOOD00093)
Japanese chestnut (FooDB: FOOD00385)
Common walnut (FooDB: FOOD00094)
Common hazelnut (FooDB: FOOD00062)
Japanese walnut (FooDB: FOOD00240)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Nuts (FooDB: FOOD00869)
Cashew nut (FooDB: FOOD00011)
Brazil nut (FooDB: FOOD00024)
Chestnut (FooDB: FOOD00045)
Almond (FooDB: FOOD00148)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)
Hibiscus tea (FooDB: FOOD00723)

Soy

Soy product

Soy bean (FooDB: FOOD00085)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Turkey (FooDB: FOOD00494)
Squab (FooDB: FOOD00481)
Anatidae (FooDB: FOOD00576)
Quail (FooDB: FOOD00541)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Rock ptarmigan (FooDB: FOOD00597)
Emu (FooDB: FOOD00360)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Guinea hen (FooDB: FOOD00373)
Greylag goose (FooDB: FOOD00368)
Velvet duck (FooDB: FOOD00427)
Ostrich (FooDB: FOOD00422)

Lagomorph

Caprae

Domestic goat (FooDB: FOOD00529)

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Pyrimidine Metabolism (HMDB: HMDB0001342)
Purine Nucleotides De Novo Biosynthesis (PathBank: SMP0000927)
Starch and Sucrose Metabolism (PathBank: SMP0000958)
Secondary Metabolites: Enterobacterial Common Antigen Biosynthesis (PathBank: SMP0000975)
Purine Nucleotides De Novo Biosynthesis 2 (PathBank: SMP0002047)
Secondary Metabolites: Enterobacterial Common Antigen Biosynthesis 2 (PathBank: SMP0002059)
Secondary Metabolites: Enterobacterial Common Antigen Biosynthesis 3 (PathBank: SMP0002060)
O-Antigen Building Blocks Biosynthesis (PathBank: SMP0002101)
Pyrimidine Metabolism (PathBank: SMP0002370)
Purine Nucleotides De Novo Biosynthesis (PathBank: SMP0002377)
Pyrimidine Deoxyribonucleosides Salvage (PathBank: SMP0012077)

Disease pathway

beta-Ureidopropionase Deficiency (PathBank: SMP0000172)
UMP Synthase Deficiency (Orotic Aciduria) (PathBank: SMP0000219)
Dihydropyrimidinase Deficiency (PathBank: SMP0000178)
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) (PathBank: SMP0000202)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.78 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	200.003	31661259
DarkChem	[M-H]-	196.291	31661259
AllCCS	[M+H]+	194.725	32859911
AllCCS	[M-H]-	187.345	32859911
DeepCCS	[M+H]+	175.659	30932474
DeepCCS	[M-H]-	172.362	30932474
DeepCCS	[M-2H]-	206.612	30932474
DeepCCS	[M+Na]+	182.976	30932474
AllCCS	[M+H]+	194.7	32859911
AllCCS	[M+H-H2O]+	192.8	32859911
AllCCS	[M+NH4]+	196.5	32859911
AllCCS	[M+Na]+	197.0	32859911
AllCCS	[M-H]-	187.3	32859911
AllCCS	[M+Na-2H]-	187.9	32859911
AllCCS	[M+HCOO]-	188.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Thymidine 5'-triphosphate	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	4667.0	Standard polar	33892256
Thymidine 5'-triphosphate	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	2607.6	Standard non polar	33892256
Thymidine 5'-triphosphate	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	3976.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Thymidine 5'-triphosphate,1TMS,isomer #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)[NH]C1=O	3614.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TMS,isomer #2	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)[NH]C1=O	3659.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TMS,isomer #3	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)[NH]C1=O	3662.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TMS,isomer #4	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)[NH]C1=O	3653.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TMS,isomer #5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3643.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #1	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)[NH]C1=O	3566.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #1	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)[NH]C1=O	3601.3	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #1	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)[NH]C1=O	5557.3	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #10	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)[NH]C1=O	3611.7	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #10	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)[NH]C1=O	3668.0	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #10	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)[NH]C1=O	5350.3	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #11	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([Si](C)(C)C)C1=O	3604.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #11	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([Si](C)(C)C)C1=O	3671.3	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #11	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([Si](C)(C)C)C1=O	5696.2	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #2	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)[NH]C1=O	3566.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #2	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)[NH]C1=O	3606.6	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #2	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)[NH]C1=O	5542.9	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #3	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)[NH]C1=O	3564.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #3	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)[NH]C1=O	3595.4	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #3	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)[NH]C1=O	5617.9	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #4	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([Si](C)(C)C)C1=O	3571.7	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #4	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([Si](C)(C)C)C1=O	3598.6	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #4	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([Si](C)(C)C)C1=O	5978.1	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #5	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)[NH]C1=O	3603.2	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #5	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)[NH]C1=O	3689.0	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #5	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)[NH]C1=O	5226.3	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #6	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)[NH]C1=O	3611.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #6	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)[NH]C1=O	3683.0	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #6	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)[NH]C1=O	5319.2	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #7	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([Si](C)(C)C)C1=O	3609.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #7	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([Si](C)(C)C)C1=O	3674.5	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #7	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([Si](C)(C)C)C1=O	5640.0	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #8	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)[NH]C1=O	3602.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #8	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)[NH]C1=O	3693.7	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #8	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)[NH]C1=O	5301.8	Standard polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #9	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([Si](C)(C)C)C1=O	3615.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #9	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([Si](C)(C)C)C1=O	3685.4	Standard non polar	33892256
Thymidine 5'-triphosphate,2TMS,isomer #9	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([Si](C)(C)C)C1=O	5629.4	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #1	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)[NH]C1=O	3539.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #1	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)[NH]C1=O	3645.5	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #1	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)[NH]C1=O	4996.9	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #10	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)[NH]C1=O	3623.2	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #10	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)[NH]C1=O	3703.1	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #10	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)[NH]C1=O	4875.5	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #11	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([Si](C)(C)C)C1=O	3553.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #11	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([Si](C)(C)C)C1=O	3707.9	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #11	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([Si](C)(C)C)C1=O	5168.6	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #12	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)[NH]C1=O	3608.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #12	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)[NH]C1=O	3708.0	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #12	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)[NH]C1=O	4862.5	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #13	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([Si](C)(C)C)C1=O	3555.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #13	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([Si](C)(C)C)C1=O	3716.9	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #13	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([Si](C)(C)C)C1=O	5126.7	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #14	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([Si](C)(C)C)C1=O	3551.2	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #14	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([Si](C)(C)C)C1=O	3697.8	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #14	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([Si](C)(C)C)C1=O	5189.6	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #2	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)[NH]C1=O	3554.7	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #2	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)[NH]C1=O	3629.6	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #2	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)[NH]C1=O	5109.4	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #3	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([Si](C)(C)C)C1=O	3523.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #3	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([Si](C)(C)C)C1=O	3632.1	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #3	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([Si](C)(C)C)C1=O	5357.7	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #4	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)[NH]C1=O	3549.7	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #4	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)[NH]C1=O	3637.9	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #4	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)[NH]C1=O	5069.5	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #5	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([Si](C)(C)C)C1=O	3525.2	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #5	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([Si](C)(C)C)C1=O	3637.8	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #5	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([Si](C)(C)C)C1=O	5314.7	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #6	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)[NH]C1=O	3551.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #6	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)[NH]C1=O	3621.6	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #6	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)[NH]C1=O	5132.6	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #7	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([Si](C)(C)C)C1=O	3525.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #7	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([Si](C)(C)C)C1=O	3625.3	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #7	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([Si](C)(C)C)C1=O	5420.3	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #8	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)[NH]C1=O	3607.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #8	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)[NH]C1=O	3721.5	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #8	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)[NH]C1=O	4844.7	Standard polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #9	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([Si](C)(C)C)C1=O	3552.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #9	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([Si](C)(C)C)C1=O	3723.1	Standard non polar	33892256
Thymidine 5'-triphosphate,3TMS,isomer #9	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([Si](C)(C)C)C1=O	5060.0	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #1	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)[NH]C1=O	3578.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #1	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)[NH]C1=O	3648.9	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #1	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)[NH]C1=O	4647.8	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #10	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([Si](C)(C)C)C1=O	3583.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #10	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([Si](C)(C)C)C1=O	3692.3	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #10	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([Si](C)(C)C)C1=O	4752.6	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #11	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([Si](C)(C)C)C1=O	3579.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #11	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([Si](C)(C)C)C1=O	3698.4	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #11	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([Si](C)(C)C)C1=O	4710.6	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #2	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([Si](C)(C)C)C1=O	3527.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #2	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([Si](C)(C)C)C1=O	3651.4	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #2	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([Si](C)(C)C)C1=O	4828.4	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #3	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)[NH]C1=O	3586.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #3	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)[NH]C1=O	3628.5	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #3	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)[NH]C1=O	4708.3	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #4	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([Si](C)(C)C)C1=O	3530.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #4	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([Si](C)(C)C)C1=O	3636.2	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #4	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([Si](C)(C)C)C1=O	4956.7	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #5	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)[NH]C1=O	3581.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #5	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)[NH]C1=O	3634.6	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #5	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)[NH]C1=O	4668.0	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #6	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([Si](C)(C)C)C1=O	3533.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #6	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([Si](C)(C)C)C1=O	3646.8	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #6	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([Si](C)(C)C)C1=O	4890.9	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #7	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([Si](C)(C)C)C1=O	3530.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #7	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([Si](C)(C)C)C1=O	3627.2	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #7	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([Si](C)(C)C)C1=O	4980.1	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #8	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)[NH]C1=O	3648.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #8	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)[NH]C1=O	3710.5	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #8	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)[NH]C1=O	4429.9	Standard polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #9	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([Si](C)(C)C)C1=O	3574.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #9	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([Si](C)(C)C)C1=O	3711.5	Standard non polar	33892256
Thymidine 5'-triphosphate,4TMS,isomer #9	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([Si](C)(C)C)C1=O	4689.8	Standard polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #1	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)[NH]C1=O	3592.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #1	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)[NH]C1=O	3616.3	Standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #1	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)[NH]C1=O	4241.9	Standard polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #2	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([Si](C)(C)C)C1=O	3573.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #2	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([Si](C)(C)C)C1=O	3626.5	Standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #2	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([Si](C)(C)C)C1=O	4466.8	Standard polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #3	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([Si](C)(C)C)C1=O	3592.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #3	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([Si](C)(C)C)C1=O	3600.6	Standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #3	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([Si](C)(C)C)C1=O	4536.0	Standard polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #4	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([Si](C)(C)C)C1=O	3578.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #4	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([Si](C)(C)C)C1=O	3609.5	Standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #4	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([Si](C)(C)C)C1=O	4483.5	Standard polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #5	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([Si](C)(C)C)C1=O	3627.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #5	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([Si](C)(C)C)C1=O	3673.2	Standard non polar	33892256
Thymidine 5'-triphosphate,5TMS,isomer #5	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([Si](C)(C)C)C1=O	4267.0	Standard polar	33892256
Thymidine 5'-triphosphate,1TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3832.7	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3904.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3907.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3896.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,1TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3865.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4005.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3985.3	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5628.2	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4042.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3998.3	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5504.5	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4027.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4021.8	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5704.2	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4008.6	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3990.9	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5597.4	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4014.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3988.4	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5678.3	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3985.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3980.2	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5859.7	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4050.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4036.7	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5369.5	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4054.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4031.0	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5470.3	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4035.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4021.6	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5661.7	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4052.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4039.0	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5425.5	Standard polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4034.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4031.2	Standard non polar	33892256
Thymidine 5'-triphosphate,2TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5628.5	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4172.0	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4149.1	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #1	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5121.2	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4224.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4154.4	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #10	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5060.2	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4174.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4178.6	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #11	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5278.9	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #12	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4212.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #12	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4158.9	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #12	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5014.3	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #13	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4171.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #13	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4192.2	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #13	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5205.9	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #14	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4168.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #14	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4150.2	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #14	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5314.2	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4197.3	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4142.3	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #2	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5240.9	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4143.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4137.2	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #3	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5418.0	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4187.5	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4153.5	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #4	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5169.6	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4140.4	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4147.0	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #5	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5355.0	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4182.2	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4116.8	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #6	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5281.5	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4139.9	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4142.2	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #7	CC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5461.8	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4219.1	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4192.2	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #8	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4974.8	Standard polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4179.8	Semi standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4187.8	Standard non polar	33892256
Thymidine 5'-triphosphate,3TBDMS,isomer #9	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5163.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Thymidine 5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9742300000-c721ba5109dede8a518b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Thymidine 5'-triphosphate GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9305110000-bbc51754a929afc4eb54	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Thymidine 5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-001i-0000900000-d176c8e8a9bdb2d457e5	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-001i-0000900000-d176c8e8a9bdb2d457e5	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-00di-0900000000-970154df2a1ed9a84a2f	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 15V, negative-QTOF	splash10-001i-0000900000-50c7a1492866ca00359d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 18V, negative-QTOF	splash10-001i-0200900000-dda4f6996cabd8db242f	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 20V, negative-QTOF	splash10-053r-0602900000-0390bef6ad193f2b5004	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 23V, negative-QTOF	splash10-0a59-0902600000-2f2a5a489951a9c68992	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 26V, negative-QTOF	splash10-0a4i-0912200000-1d8c5b170f87fa6f2c9b	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 34V, negative-QTOF	splash10-0a4i-1921100000-93f84465717aa16d3f7c	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 41V, negative-QTOF	splash10-0a4i-2920000000-6d1131e45ff20126cf41	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 50V, negative-QTOF	splash10-0a6r-5910000000-2a9eb44864392efb37c3	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 59V, negative-QTOF	splash10-056r-9700000000-71a33ac9eaf4e714b558	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 73V, negative-QTOF	splash10-004i-9200000000-0667d2c3d019b5ca17bc	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate n/a 33V, negative-QTOF	splash10-001i-0209200000-ed0d460f9e1d08011f06	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate n/a 33V, negative-QTOF	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate n/a 33V, negative-QTOF	splash10-0a4i-0190000000-e8bf71168cfd7e675dca	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate n/a 33V, negative-QTOF	splash10-001r-0019000000-d84a6f61ca04e6970204	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 16V, negative-QTOF	splash10-001i-0009000000-6f966eb3b101b9fadfbe	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Thymidine 5'-triphosphate Orbitrap 18V, negative-QTOF	splash10-001i-0019000000-f7153b7fadabb2f7f79f	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 10V, Positive-QTOF	splash10-004i-0900000000-9c496d7377af5eb651b2	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 20V, Positive-QTOF	splash10-004i-2901000000-99a48a5d17f022d6494c	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 40V, Positive-QTOF	splash10-004i-4900000000-889ecd9966747af96efe	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 10V, Negative-QTOF	splash10-053i-1410900000-cc4f8db45f53046b5380	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 20V, Negative-QTOF	splash10-057r-9870100000-6cf02bd6b66f7b822525	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Thymidine 5'-triphosphate 40V, Negative-QTOF	splash10-004i-9100000000-cde9ec4f970230e9f180	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Mitochondria
Nucleus

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Pyrimidine metabolism	Not Available
Beta Ureidopropionase Deficiency		Not Available
UMP Synthase Deficiency (Orotic Aciduria)		Not Available
Dihydropyrimidinase Deficiency		Not Available
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

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

VMH ID

DTTP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Ikehara, Morio; Ohtsuka, Eiko. Coenzyme analogs. XXI. A new synthesis of thymidine 5'-triphosphate and the use of P1,P2-bis(2-cyanoethyl) pyrophosphate in the nucleoside triphosphate synthesis. Chemical & Pharmaceutical Bulletin (1963), 11(11), 1358-63.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

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. [PubMed:6297538 ]
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. [PubMed:1320895 ]

Only showing the first 10 proteins. There are 43 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Ectonucleoside triphosphate diphosphohydrolase 1

General function:: Involved in hydrolase activity
Specific function:: In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:: ENTPD1
Uniprot ID:: P49961
Molecular weight:: 58706.0

Reactions

Thymidine 5'-triphosphate + Water → dTDP + Phosphate	details

Enzyme Details

2. Soluble calcium-activated nucleotidase 1

General function:: Involved in calcium ion binding
Specific function:: Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:: CANT1
Uniprot ID:: Q8WVQ1
Molecular weight:: 44839.24

Enzyme Details

3. Ectonucleoside triphosphate diphosphohydrolase 3

General function:: Involved in hydrolase activity
Specific function:: Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:: ENTPD3
Uniprot ID:: O75355
Molecular weight:: 59104.76

Reactions

Thymidine 5'-triphosphate + Water → dTDP + Phosphate	details

Enzyme Details

4. Uridine-cytidine kinase 1

General function:: Involved in ATP binding
Specific function:: Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor. Can also phosphorylate cytidine and uridine nucleoside analogs such as 6-azauridine, 5-fluorouridine, 4-thiouridine, 5-bromouridine, N(4)-acetylcytidine, N(4)-benzoylcytidine, 5-fluorocytidine, 2-thiocytidine, 5-methylcytidine, and N(4)-anisoylcytidine.
Gene Name:: UCK1
Uniprot ID:: Q9HA47
Molecular weight:: 22760.43

Reactions

Thymidine 5'-triphosphate + Cytidine → dTDP + Cytidine monophosphate	details
Thymidine 5'-triphosphate + Uridine → dTDP + Uridine 5'-monophosphate	details

Enzyme Details

5. Nucleoside diphosphate kinase, mitochondrial

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:: NME4
Uniprot ID:: O00746
Molecular weight:: 20658.45

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Enzyme Details

6. Nucleoside diphosphate kinase A

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:: NME1
Uniprot ID:: P15531
Molecular weight:: 17148.635

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Enzyme Details

7. Nucleoside diphosphate kinase 7

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:: NME7
Uniprot ID:: Q9Y5B8
Molecular weight:: 42491.365

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Enzyme Details

8. Nucleoside diphosphate kinase B

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:: NME2
Uniprot ID:: P22392
Molecular weight:: 30136.92

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Enzyme Details

9. Nucleoside diphosphate kinase 3

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Probably has a role in normal hematopoiesis by inhibition of granulocyte differentiation and induction of apoptosis.
Gene Name:: NME3
Uniprot ID:: Q13232
Molecular weight:: 19014.85

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Enzyme Details

10. Nucleoside diphosphate kinase 6

General function:: Involved in nucleoside diphosphate kinase activity
Specific function:: Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Inhibitor of p53-induced apoptosis.
Gene Name:: NME6
Uniprot ID:: O75414
Molecular weight:: 22002.965

Reactions

Adenosine triphosphate + dTDP → ADP + Thymidine 5'-triphosphate	details

Only showing the first 10 proteins. There are 43 proteins in total.

Show all enzymes and transporters

Showing metabocard for Thymidine 5'-triphosphate (HMDB0001342)

MOL for HMDB0001342 (Thymidine 5'-triphosphate)

3D MOL for HMDB0001342 (Thymidine 5'-triphosphate)

3D SDF for HMDB0001342 (Thymidine 5'-triphosphate)

3D-SDF for HMDB0001342 (Thymidine 5'-triphosphate)

PDB for HMDB0001342 (Thymidine 5'-triphosphate)

3D PDB for HMDB0001342 (Thymidine 5'-triphosphate)

SMILES for HMDB0001342 (Thymidine 5'-triphosphate)

INCHI for HMDB0001342 (Thymidine 5'-triphosphate)

Structure for HMDB0001342 (Thymidine 5'-triphosphate)

3D Structure for HMDB0001342 (Thymidine 5'-triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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