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Showing metabocard for dCTP (HMDB0000998)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (31) Show 31 proteinsXML
enzymes (31) Show 31 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:48:16 UTC
HMDB IDHMDB0000998
Secondary Accession Numbers
  • HMDB00998
Metabolite Identification
Common NamedCTP
DescriptiondCTP, also known as deoxy-CTP, 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. dCTP is an extremely weak basic (essentially neutral) compound (based on its pKa). dCTP exists in all living species, ranging from bacteria to humans. Within humans, dCTP participates in a number of enzymatic reactions. In particular, cytidine triphosphate and dCTP can be biosynthesized from uridine triphosphate through its interaction with the enzyme CTP synthase 1. In addition, dCTP can be biosynthesized from dCDP; which is catalyzed by the enzyme nucleoside diphosphate kinase 6. In humans, dCTP is involved in the metabolic disorder called the beta-ureidopropionase deficiency pathway. Outside of the human body, dCTP is found, on average, in the highest concentration within beers. dCTP has also been detected, but not quantified in, several different foods, such as common verbena, ryes, sorghums, white lupines, and mugworts. This could make dCTP a potential biomarker for the consumption of these foods. A 2'-deoxycytidine phosphate having cytosine as the nucleobase.
Structure
Data?1600202093
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000998 (dCTP)


  Mrv1652309152017312D          

 28 29  0  0  0  0            999 V2000
   -3.5255    0.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9571   -1.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    1.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6689    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2413   -0.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2413   -1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268   -1.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123   -1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123   -0.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262   -0.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    0.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8388    0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    0.8812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7588    0.0965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0984    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5277    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6559   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 14  1  0  0  0  0
 13 14  1  0  0  0  0
  1  9  2  0  0  0  0
 16 14  1  1  0  0  0
 19  3  1  1  0  0  0
 18  4  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 21 24  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000998 (dCTP)

HMDB0000998
     RDKit          3D
dCTP
 44 45  0  0  0  0  0  0  0  0999 V2000
   -8.4033    0.7004    0.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0159    0.3970    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081    0.3483   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8631    0.0484   -0.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2983   -0.2024    0.3936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -0.5105    0.5593 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3331   -1.2998   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -1.2760   -0.1706 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6861   -2.3639    0.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -0.0276    0.6528 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2844    0.8555    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.1401    0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    0.9905   -0.2757 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.4293    2.4152   -0.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    0.3072   -1.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998    0.9065    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    1.0906    0.0725 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4330    2.2128   -0.9491 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6965    1.6315    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006   -0.2706   -0.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -0.9785   -0.0417 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.0298   -1.9436   -1.0811 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6649    0.1373    0.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049   -1.8814    1.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729    0.5774    0.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1082   -0.1495    1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6633   -0.3726    2.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4249    0.1399    1.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0711    0.0336   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7769    1.5954    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6464    0.5483   -1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2571    0.0181   -1.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970   -1.1171    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258   -2.3167   -0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3687   -0.7354   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -1.2663   -1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068   -2.9026    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -0.2058    1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    1.1791   -0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802    1.7370    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6899    0.9896   -2.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    2.5720    1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5408    1.0153   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798   -2.7666    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 21 24  1  0
 10 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  2  0
 25  6  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  6 33  1  1
  7 34  1  0
  7 35  1  0
  8 36  1  6
  9 37  1  0
 10 38  1  1
 11 39  1  0
 11 40  1  0
 15 41  1  0
 19 42  1  0
 23 43  1  0
 24 44  1  0
M  END
Download

3D SDF for HMDB0000998 (dCTP)


  Mrv1652309152017312D          

 28 29  0  0  0  0            999 V2000
   -3.5255    0.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9571   -1.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    1.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6689    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2413   -0.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2413   -1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268   -1.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123   -1.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123   -0.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262   -0.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    0.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8388    0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    0.8812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7588    0.0965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0984    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5277    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434   -0.3068    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6559   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 14  1  0  0  0  0
 13 14  1  0  0  0  0
  1  9  2  0  0  0  0
 16 14  1  1  0  0  0
 19  3  1  1  0  0  0
 18  4  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 21 24  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000998

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHI_KEY>
RGWHQCVHVJXOKC-SHYZEUOFSA-N

> <FORMULA>
C9H16N3O13P3

> <MOLECULAR_WEIGHT>
467.1569

> <EXACT_MASS>
466.989597149

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.20574260956348

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.52

> <JCHEM_LOGP>
-3.2940417321574436

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.533823586949926

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9942092425522997

> <JCHEM_PKA_STRONGEST_BASIC>
0.21057719048859547

> <JCHEM_POLAR_SURFACE_AREA>
247.96999999999994

> <JCHEM_REFRACTIVITY>
85.6528

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dCTP

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000998 (dCTP)

HMDB0000998
     RDKit          3D
dCTP
 44 45  0  0  0  0  0  0  0  0999 V2000
   -8.4033    0.7004    0.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0159    0.3970    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081    0.3483   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8631    0.0484   -0.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2983   -0.2024    0.3936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -0.5105    0.5593 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3331   -1.2998   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -1.2760   -0.1706 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6861   -2.3639    0.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -0.0276    0.6528 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2844    0.8555    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.1401    0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    0.9905   -0.2757 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.4293    2.4152   -0.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    0.3072   -1.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998    0.9065    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    1.0906    0.0725 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4330    2.2128   -0.9491 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6965    1.6315    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006   -0.2706   -0.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -0.9785   -0.0417 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.0298   -1.9436   -1.0811 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6649    0.1373    0.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049   -1.8814    1.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729    0.5774    0.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1082   -0.1495    1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6633   -0.3726    2.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4249    0.1399    1.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0711    0.0336   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7769    1.5954    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6464    0.5483   -1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2571    0.0181   -1.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970   -1.1171    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258   -2.3167   -0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3687   -0.7354   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -1.2663   -1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068   -2.9026    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -0.2058    1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    1.1791   -0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802    1.7370    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6899    0.9896   -2.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    2.5720    1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5408    1.0153   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798   -2.7666    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 21 24  1  0
 10 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  2  0
 25  6  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  6 33  1  1
  7 34  1  0
  7 35  1  0
  8 36  1  6
  9 37  1  0
 10 38  1  1
 11 39  1  0
 11 40  1  0
 15 41  1  0
 19 42  1  0
 23 43  1  0
 24 44  1  0
M  END
Download

PDB for HMDB0000998 (dCTP)

HEADER    PROTEIN                                 15-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-20         0                                  
HETATM    1  O   UNK     0      -6.581   1.737   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0      -9.253  -2.885   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -0.087  -0.573   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.957   2.885   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.249   0.197   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0       2.585  -0.573   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0       1.815  -1.906   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.355  -1.906   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -6.583   0.197   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -7.917  -0.573   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -7.917  -2.113   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.583  -2.883   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.250  -2.113   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -5.250  -0.573   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -2.662  -0.725   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.908   0.180   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.432   1.645   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.892   1.645   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.416   0.180   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.917   0.197   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0       5.253  -0.573   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0       4.483  -1.906   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.023  -1.906   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.585   0.197   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0       7.921  -0.573   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0       9.253   0.197   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       7.151  -1.906   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.691  -1.906   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2   11                                                            
CONECT    3    5   19                                                       
CONECT    4   18                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8   20                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9   10   14    1                                                  
CONECT   10    9   11                                                       
CONECT   11   12   10    2                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    9   13   16                                                  
CONECT   15   16   19                                                       
CONECT   16   17   15   14                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19    4                                                  
CONECT   19   18   15    3                                                  
CONECT   20   21    6                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   25   21                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END
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3D PDB for HMDB0000998 (dCTP)

COMPND    HMDB0000998
HETATM    1  N1  UNL     1      -8.403   0.700   0.074  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.016   0.397   0.167  1.00  0.00           C  
HETATM    3  C2  UNL     1      -6.208   0.348  -0.939  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.863   0.048  -0.798  1.00  0.00           C  
HETATM    5  N2  UNL     1      -4.298  -0.202   0.394  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.928  -0.511   0.559  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.333  -1.300  -0.615  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.864  -1.276  -0.171  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.686  -2.364   0.667  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.823  -0.028   0.653  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.284   0.855   0.132  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.474   0.140   0.263  1.00  0.00           O  
HETATM   13  P1  UNL     1       2.812   0.990  -0.276  1.00  0.00           P  
HETATM   14  O3  UNL     1       2.429   2.415  -0.563  1.00  0.00           O  
HETATM   15  O4  UNL     1       3.392   0.307  -1.731  1.00  0.00           O  
HETATM   16  O5  UNL     1       4.100   0.906   0.833  1.00  0.00           O  
HETATM   17  P2  UNL     1       5.583   1.091   0.072  1.00  0.00           P  
HETATM   18  O6  UNL     1       5.433   2.213  -0.949  1.00  0.00           O  
HETATM   19  O7  UNL     1       6.696   1.632   1.222  1.00  0.00           O  
HETATM   20  O8  UNL     1       6.101  -0.271  -0.732  1.00  0.00           O  
HETATM   21  P3  UNL     1       7.468  -0.978  -0.042  1.00  0.00           P  
HETATM   22  O9  UNL     1       8.030  -1.944  -1.081  1.00  0.00           O  
HETATM   23  O10 UNL     1       8.665   0.137   0.306  1.00  0.00           O  
HETATM   24  O11 UNL     1       7.105  -1.881   1.325  1.00  0.00           O  
HETATM   25  O12 UNL     1      -2.073   0.577   0.576  1.00  0.00           O  
HETATM   26  C9  UNL     1      -5.108  -0.149   1.465  1.00  0.00           C  
HETATM   27  O13 UNL     1      -4.663  -0.373   2.634  1.00  0.00           O  
HETATM   28  N3  UNL     1      -6.425   0.140   1.364  1.00  0.00           N  
HETATM   29  H1  UNL     1      -9.071   0.034  -0.359  1.00  0.00           H  
HETATM   30  H2  UNL     1      -8.777   1.595   0.438  1.00  0.00           H  
HETATM   31  H3  UNL     1      -6.646   0.548  -1.912  1.00  0.00           H  
HETATM   32  H4  UNL     1      -4.257   0.018  -1.683  1.00  0.00           H  
HETATM   33  H5  UNL     1      -2.697  -1.117   1.459  1.00  0.00           H  
HETATM   34  H6  UNL     1      -2.726  -2.317  -0.658  1.00  0.00           H  
HETATM   35  H7  UNL     1      -2.369  -0.735  -1.551  1.00  0.00           H  
HETATM   36  H8  UNL     1      -0.194  -1.266  -1.039  1.00  0.00           H  
HETATM   37  H9  UNL     1      -1.507  -2.903   0.801  1.00  0.00           H  
HETATM   38  H10 UNL     1      -0.619  -0.206   1.728  1.00  0.00           H  
HETATM   39  H11 UNL     1       0.082   1.179  -0.900  1.00  0.00           H  
HETATM   40  H12 UNL     1       0.380   1.737   0.807  1.00  0.00           H  
HETATM   41  H13 UNL     1       3.690   0.990  -2.356  1.00  0.00           H  
HETATM   42  H14 UNL     1       6.509   2.572   1.463  1.00  0.00           H  
HETATM   43  H15 UNL     1       8.541   1.015  -0.119  1.00  0.00           H  
HETATM   44  H16 UNL     1       6.780  -2.767   1.019  1.00  0.00           H  
CONECT    1    2   29   30
CONECT    2    3   28   28
CONECT    3    4    4   31
CONECT    4    5   32
CONECT    5    6   26
CONECT    6    7   25   33
CONECT    7    8   34   35
CONECT    8    9   10   36
CONECT    9   37
CONECT   10   11   25   38
CONECT   11   12   39   40
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   41
CONECT   16   17
CONECT   17   18   18   19   20
CONECT   19   42
CONECT   20   21
CONECT   21   22   22   23   24
CONECT   23   43
CONECT   24   44
CONECT   26   27   27   28
END
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SMILES for HMDB0000998 (dCTP)

NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
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INCHI for HMDB0000998 (dCTP)

InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2'-Deoxycytidine 5'-triphosphateChEBI
Deoxycytidine 5'-triphosphateChEBI
Deoxycytidine triphosphateChEBI
2'-Deoxycytidine 5'-triphosphoric acidGenerator
Deoxycytidine 5'-triphosphoric acidGenerator
Deoxycytidine triphosphoric acidGenerator
2'-Deoxycytidine-5'-triphosphateHMDB
Deoxy-CTPHMDB
Deoxycytidine-triphosphateHMDB
2'-Deoxycytidine 5'-triphosphate, 3H-labeledHMDB
2'-Deoxycytidine 5'-triphosphate, p-(32)p-labeledHMDB
2'-Deoxycytidine 5'-triphosphate, magnesium saltHMDB
2'-Deoxycytidine 5'-triphosphate, p''-(32)p-labeledHMDB
2'-DeoxyCTPHMDB
2'-Deoxycytidine 5'-(tetrahydrogen triphosphate)HMDB
2’-DeoxyCTPHMDB
2’-Deoxycytidine 5’-(tetrahydrogen triphosphate)HMDB
2’-Deoxycytidine 5’-triphosphateHMDB
5'-DCTPHMDB
5’-DCTPHMDB
Deoxy-5'-CTPHMDB
Deoxy-5’-CTPHMDB
Deoxycytidine 5’-triphosphateHMDB
dCTPHMDB
Chemical FormulaC9H16N3O13P3
Average Molecular Weight467.1569
Monoisotopic Molecular Weight466.989597149
IUPAC Name({[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional NamedCTP
CAS Registry Number2056-98-6
SMILES
NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
InChI Identifier
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChI KeyRGWHQCVHVJXOKC-SHYZEUOFSA-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.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine deoxyribonucleotides
Direct ParentPyrimidine 2'-deoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Pyrimidine 2'-deoxyribonucleoside triphosphate
  • Hydroxypyrimidine
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available176.922http://allccs.zhulab.cn/database/detail?ID=AllCCS00000112
[M+H]+Not Available185.387http://allccs.zhulab.cn/database/detail?ID=AllCCS00000112
Predicted Molecular Properties
PropertyValueSource
Water Solubility11.8 g/LALOGPS
logP-0.52ALOGPS
logP-3.3ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)0.99ChemAxon
pKa (Strongest Basic)0.21ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area247.97 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity85.65 m³·mol⁻¹ChemAxon
Polarizability35.21 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+196.49331661259
DarkChem[M-H]-192.69431661259
AllCCS[M+H]+191.14532859911
AllCCS[M-H]-183.58332859911
DeepCCS[M+H]+156.62430932474
DeepCCS[M-H]-153.42630932474
DeepCCS[M-2H]-187.57630932474
DeepCCS[M+Na]+163.9430932474
AllCCS[M+H]+191.132859911
AllCCS[M+H-H2O]+189.132859911
AllCCS[M+NH4]+193.032859911
AllCCS[M+Na]+193.632859911
AllCCS[M-H]-183.632859911
AllCCS[M+Na-2H]-183.932859911
AllCCS[M+HCOO]-184.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
dCTPNC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14536.8Standard polar33892256
dCTPNC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O13028.3Standard non polar33892256
dCTPNC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O14216.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
dCTP,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3798.8Semi standard non polar33892256
dCTP,1TMS,isomer #2C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3827.9Semi standard non polar33892256
dCTP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3843.7Semi standard non polar33892256
dCTP,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3826.2Semi standard non polar33892256
dCTP,1TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13829.0Semi standard non polar33892256
dCTP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3762.8Semi standard non polar33892256
dCTP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3494.2Standard non polar33892256
dCTP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O6039.1Standard polar33892256
dCTP,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3764.8Semi standard non polar33892256
dCTP,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3563.3Standard non polar33892256
dCTP,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5838.7Standard polar33892256
dCTP,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13809.6Semi standard non polar33892256
dCTP,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C13608.1Standard non polar33892256
dCTP,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C=C15846.8Standard polar33892256
dCTP,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C3819.9Semi standard non polar33892256
dCTP,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C3631.4Standard non polar33892256
dCTP,2TMS,isomer #12C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C6069.2Standard polar33892256
dCTP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3771.9Semi standard non polar33892256
dCTP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3506.7Standard non polar33892256
dCTP,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O6104.9Standard polar33892256
dCTP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3751.7Semi standard non polar33892256
dCTP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3491.2Standard non polar33892256
dCTP,2TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C6065.1Standard polar33892256
dCTP,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13785.2Semi standard non polar33892256
dCTP,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C13535.5Standard non polar33892256
dCTP,2TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C16122.7Standard polar33892256
dCTP,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3784.6Semi standard non polar33892256
dCTP,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3590.7Standard non polar33892256
dCTP,2TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5805.9Standard polar33892256
dCTP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3774.6Semi standard non polar33892256
dCTP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3576.9Standard non polar33892256
dCTP,2TMS,isomer #6C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C5797.3Standard polar33892256
dCTP,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C13829.7Semi standard non polar33892256
dCTP,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C13613.3Standard non polar33892256
dCTP,2TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C=C15800.5Standard polar33892256
dCTP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3778.6Semi standard non polar33892256
dCTP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3592.8Standard non polar33892256
dCTP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5846.4Standard polar33892256
dCTP,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13836.9Semi standard non polar33892256
dCTP,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C13630.8Standard non polar33892256
dCTP,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C=C15815.5Standard polar33892256
dCTP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3674.7Semi standard non polar33892256
dCTP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3517.5Standard non polar33892256
dCTP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5638.4Standard polar33892256
dCTP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([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=C13777.6Semi standard non polar33892256
dCTP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([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=C13666.2Standard non polar33892256
dCTP,3TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([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=C15282.5Standard polar33892256
dCTP,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3686.0Semi standard non polar33892256
dCTP,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3585.6Standard non polar33892256
dCTP,3TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5456.4Standard polar33892256
dCTP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C13759.2Semi standard non polar33892256
dCTP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C13646.5Standard non polar33892256
dCTP,3TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C15360.3Standard polar33892256
dCTP,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3734.7Semi standard non polar33892256
dCTP,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O3673.7Standard non polar33892256
dCTP,3TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O5482.3Standard polar33892256
dCTP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3686.1Semi standard non polar33892256
dCTP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3591.8Standard non polar33892256
dCTP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5480.3Standard polar33892256
dCTP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([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=C13765.8Semi standard non polar33892256
dCTP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([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=C13662.7Standard non polar33892256
dCTP,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)N([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=C15340.8Standard polar33892256
dCTP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3732.8Semi standard non polar33892256
dCTP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3693.7Standard non polar33892256
dCTP,3TMS,isomer #16C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O5441.6Standard polar33892256
dCTP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([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=C13761.7Semi standard non polar33892256
dCTP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([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=C13632.9Standard non polar33892256
dCTP,3TMS,isomer #17C[Si](C)(C)NC1=NC(=O)N([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=C15383.0Standard polar33892256
dCTP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3732.3Semi standard non polar33892256
dCTP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3668.1Standard non polar33892256
dCTP,3TMS,isomer #18C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O5532.8Standard polar33892256
dCTP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3659.8Semi standard non polar33892256
dCTP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3502.7Standard non polar33892256
dCTP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5648.0Standard polar33892256
dCTP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([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=C13733.6Semi standard non polar33892256
dCTP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([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=C13575.6Standard non polar33892256
dCTP,3TMS,isomer #3C[Si](C)(C)NC1=NC(=O)N([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=C15563.4Standard polar33892256
dCTP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3662.6Semi standard non polar33892256
dCTP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3515.1Standard non polar33892256
dCTP,3TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5672.2Standard polar33892256
dCTP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([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=C13729.0Semi standard non polar33892256
dCTP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([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=C13586.5Standard non polar33892256
dCTP,3TMS,isomer #5C[Si](C)(C)NC1=NC(=O)N([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=C15548.4Standard polar33892256
dCTP,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3659.3Semi standard non polar33892256
dCTP,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3490.0Standard non polar33892256
dCTP,3TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5676.7Standard polar33892256
dCTP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C13714.1Semi standard non polar33892256
dCTP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C13567.0Standard non polar33892256
dCTP,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C15615.9Standard polar33892256
dCTP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3690.1Semi standard non polar33892256
dCTP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O3606.3Standard non polar33892256
dCTP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O5756.2Standard polar33892256
dCTP,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3682.5Semi standard non polar33892256
dCTP,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3604.3Standard non polar33892256
dCTP,3TMS,isomer #9C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C5437.7Standard polar33892256
dCTP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3620.1Semi standard non polar33892256
dCTP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3501.0Standard non polar33892256
dCTP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C5307.6Standard polar33892256
dCTP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3654.2Semi standard non polar33892256
dCTP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3597.5Standard non polar33892256
dCTP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C5293.3Standard polar33892256
dCTP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3652.4Semi standard non polar33892256
dCTP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3570.9Standard non polar33892256
dCTP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5103.8Standard polar33892256
dCTP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C13744.4Semi standard non polar33892256
dCTP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C13655.5Standard non polar33892256
dCTP,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)N([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=C14926.2Standard polar33892256
dCTP,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3698.3Semi standard non polar33892256
dCTP,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3695.4Standard non polar33892256
dCTP,4TMS,isomer #13C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4970.7Standard polar33892256
dCTP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([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=C13754.5Semi standard non polar33892256
dCTP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([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=C13632.5Standard non polar33892256
dCTP,4TMS,isomer #14C[Si](C)(C)NC1=NC(=O)N([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=C14975.9Standard polar33892256
dCTP,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3700.8Semi standard non polar33892256
dCTP,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3669.7Standard non polar33892256
dCTP,4TMS,isomer #15C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C5082.2Standard polar33892256
dCTP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([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=C13749.9Semi standard non polar33892256
dCTP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([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=C13641.2Standard non polar33892256
dCTP,4TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([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=C14952.1Standard polar33892256
dCTP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3698.1Semi standard non polar33892256
dCTP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3692.4Standard non polar33892256
dCTP,4TMS,isomer #17C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O5022.6Standard polar33892256
dCTP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3698.7Semi standard non polar33892256
dCTP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3656.5Standard non polar33892256
dCTP,4TMS,isomer #18C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O5098.7Standard polar33892256
dCTP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C13705.0Semi standard non polar33892256
dCTP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C13599.3Standard non polar33892256
dCTP,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C15083.1Standard polar33892256
dCTP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3620.1Semi standard non polar33892256
dCTP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3475.3Standard non polar33892256
dCTP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5351.3Standard polar33892256
dCTP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C13703.1Semi standard non polar33892256
dCTP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C13578.5Standard non polar33892256
dCTP,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C15184.6Standard polar33892256
dCTP,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3659.8Semi standard non polar33892256
dCTP,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O3604.5Standard non polar33892256
dCTP,4TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O5239.9Standard polar33892256
dCTP,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3622.3Semi standard non polar33892256
dCTP,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3485.8Standard non polar33892256
dCTP,4TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C5341.7Standard polar33892256
dCTP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C13693.4Semi standard non polar33892256
dCTP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C13594.4Standard non polar33892256
dCTP,4TMS,isomer #7C[Si](C)(C)NC1=NC(=O)N([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=C15138.2Standard polar33892256
dCTP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3655.3Semi standard non polar33892256
dCTP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3623.5Standard non polar33892256
dCTP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O5183.4Standard polar33892256
dCTP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C13698.1Semi standard non polar33892256
dCTP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C13568.3Standard non polar33892256
dCTP,4TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C15208.3Standard polar33892256
dCTP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3598.4Semi standard non polar33892256
dCTP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3440.0Standard non polar33892256
dCTP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4996.4Standard polar33892256
dCTP,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3699.0Semi standard non polar33892256
dCTP,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C3654.3Standard non polar33892256
dCTP,5TMS,isomer #10C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C4616.0Standard polar33892256
dCTP,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3711.0Semi standard non polar33892256
dCTP,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3623.7Standard non polar33892256
dCTP,5TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4691.2Standard polar33892256
dCTP,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3700.4Semi standard non polar33892256
dCTP,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O3638.3Standard non polar33892256
dCTP,5TMS,isomer #12C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O4633.2Standard polar33892256
dCTP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C13686.2Semi standard non polar33892256
dCTP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C13568.6Standard non polar33892256
dCTP,5TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([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=C14715.3Standard polar33892256
dCTP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3650.9Semi standard non polar33892256
dCTP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O3587.4Standard non polar33892256
dCTP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4751.2Standard polar33892256
dCTP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C13694.6Semi standard non polar33892256
dCTP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C13543.1Standard non polar33892256
dCTP,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)N([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=C14788.9Standard polar33892256
dCTP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3667.4Semi standard non polar33892256
dCTP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C3568.7Standard non polar33892256
dCTP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C4883.0Standard polar33892256
dCTP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([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=C13686.5Semi standard non polar33892256
dCTP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([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=C13553.5Standard non polar33892256
dCTP,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)N([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=C14741.0Standard polar33892256
dCTP,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3652.8Semi standard non polar33892256
dCTP,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3588.8Standard non polar33892256
dCTP,5TMS,isomer #7C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4801.6Standard polar33892256
dCTP,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3659.6Semi standard non polar33892256
dCTP,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3552.6Standard non polar33892256
dCTP,5TMS,isomer #8C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4907.5Standard polar33892256
dCTP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C13739.7Semi standard non polar33892256
dCTP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C13619.2Standard non polar33892256
dCTP,5TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([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=C14514.1Standard polar33892256
dCTP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([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=C13671.2Semi standard non polar33892256
dCTP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([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=C13519.7Standard non polar33892256
dCTP,6TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([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=C14327.2Standard polar33892256
dCTP,6TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3681.1Semi standard non polar33892256
dCTP,6TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C3548.0Standard non polar33892256
dCTP,6TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C4419.2Standard polar33892256
dCTP,6TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3689.6Semi standard non polar33892256
dCTP,6TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3515.6Standard non polar33892256
dCTP,6TMS,isomer #3C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4490.1Standard polar33892256
dCTP,6TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3671.5Semi standard non polar33892256
dCTP,6TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3530.9Standard non polar33892256
dCTP,6TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4436.8Standard polar33892256
dCTP,6TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3732.2Semi standard non polar33892256
dCTP,6TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3590.9Standard non polar33892256
dCTP,6TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4233.6Standard polar33892256
dCTP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4032.8Semi standard non polar33892256
dCTP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4077.4Semi standard non polar33892256
dCTP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O4091.2Semi standard non polar33892256
dCTP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O4068.9Semi standard non polar33892256
dCTP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C14099.3Semi standard non polar33892256
dCTP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O4174.2Semi standard non polar33892256
dCTP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O3858.5Standard non polar33892256
dCTP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O6087.8Standard polar33892256
dCTP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O4195.3Semi standard non polar33892256
dCTP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3874.7Standard non polar33892256
dCTP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5953.6Standard polar33892256
dCTP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14289.8Semi standard non polar33892256
dCTP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C13965.9Standard non polar33892256
dCTP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15896.0Standard polar33892256
dCTP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C4212.4Semi standard non polar33892256
dCTP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C3977.8Standard non polar33892256
dCTP,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C5977.3Standard polar33892256
dCTP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4176.9Semi standard non polar33892256
dCTP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3867.0Standard non polar33892256
dCTP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O6133.2Standard polar33892256
dCTP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4178.1Semi standard non polar33892256
dCTP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3861.3Standard non polar33892256
dCTP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C6105.2Standard polar33892256
dCTP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14246.4Semi standard non polar33892256
dCTP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C13924.9Standard non polar33892256
dCTP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C16052.4Standard polar33892256
dCTP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4201.4Semi standard non polar33892256
dCTP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3911.6Standard non polar33892256
dCTP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5904.8Standard polar33892256
dCTP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4197.5Semi standard non polar33892256
dCTP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3903.2Standard non polar33892256
dCTP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5905.6Standard polar33892256
dCTP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14291.1Semi standard non polar33892256
dCTP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C13960.0Standard non polar33892256
dCTP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15857.4Standard polar33892256
dCTP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O4198.5Semi standard non polar33892256
dCTP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3913.5Standard non polar33892256
dCTP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5930.5Standard polar33892256
dCTP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14284.9Semi standard non polar33892256
dCTP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C13969.7Standard non polar33892256
dCTP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15850.3Standard polar33892256
dCTP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4286.4Semi standard non polar33892256
dCTP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O3964.7Standard non polar33892256
dCTP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O5726.3Standard polar33892256
dCTP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14402.6Semi standard non polar33892256
dCTP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14119.2Standard non polar33892256
dCTP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15434.0Standard polar33892256
dCTP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4309.7Semi standard non polar33892256
dCTP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3985.6Standard non polar33892256
dCTP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5603.4Standard polar33892256
dCTP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14398.5Semi standard non polar33892256
dCTP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14119.8Standard non polar33892256
dCTP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15524.8Standard polar33892256
dCTP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4336.0Semi standard non polar33892256
dCTP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O4153.6Standard non polar33892256
dCTP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)OP(=O)(O)OP(=O)(O)O5575.4Standard polar33892256
dCTP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O4296.6Semi standard non polar33892256
dCTP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O3993.1Standard non polar33892256
dCTP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O5593.4Standard polar33892256
dCTP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14396.8Semi standard non polar33892256
dCTP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14131.6Standard non polar33892256
dCTP,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15475.1Standard polar33892256
dCTP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O4335.5Semi standard non polar33892256
dCTP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O4166.1Standard non polar33892256
dCTP,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O5517.3Standard polar33892256
dCTP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14394.6Semi standard non polar33892256
dCTP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14084.1Standard non polar33892256
dCTP,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15559.7Standard polar33892256
dCTP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O4326.6Semi standard non polar33892256
dCTP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O4164.7Standard non polar33892256
dCTP,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O5609.8Standard polar33892256
dCTP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C4291.2Semi standard non polar33892256
dCTP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3958.7Standard non polar33892256
dCTP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C5759.9Standard polar33892256
dCTP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14361.9Semi standard non polar33892256
dCTP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14072.7Standard non polar33892256
dCTP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15669.3Standard polar33892256
dCTP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C4286.2Semi standard non polar33892256
dCTP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C3972.0Standard non polar33892256
dCTP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C5749.7Standard polar33892256
dCTP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14358.7Semi standard non polar33892256
dCTP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14082.5Standard non polar33892256
dCTP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15630.0Standard polar33892256
dCTP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4287.4Semi standard non polar33892256
dCTP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3937.7Standard non polar33892256
dCTP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5800.5Standard polar33892256
dCTP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14355.6Semi standard non polar33892256
dCTP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C14083.5Standard non polar33892256
dCTP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)N([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=C15707.7Standard polar33892256
dCTP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4295.0Semi standard non polar33892256
dCTP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O4104.9Standard non polar33892256
dCTP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O5751.6Standard polar33892256
dCTP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4296.7Semi standard non polar33892256
dCTP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C4019.3Standard non polar33892256
dCTP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C5541.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - dCTP GC-EI-TOF (Non-derivatized)splash10-03di-1900000000-3d90990d3831fc38abb62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - dCTP GC-EI-TOF (Non-derivatized)splash10-03di-1900000000-3d90990d3831fc38abb62018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9734200000-676373c19e4530dc25722017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (1 TMS) - 70eV, Positivesplash10-00dm-9207110000-47dd719accdfad2d1bb72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - dCTP GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 16V, negative-QTOFsplash10-014i-0100900000-0c4be9d6bd044dcc30a02020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 21V, negative-QTOFsplash10-066r-0703900000-fba71bd6110938a887172020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 28V, negative-QTOFsplash10-0a4i-0903100000-bc9ee1b07578fee8fe602020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 34V, negative-QTOFsplash10-0a4i-1912000000-502a328c4dd3b85b12612020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 41V, negative-QTOFsplash10-0a4i-3910000000-24e79fde8d9f943e59182020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 47V, negative-QTOFsplash10-0a6r-7910000000-97e0df7b280b0847ad0e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 56V, negative-QTOFsplash10-056r-9600000000-76ddb7ea2b1e0425b8bf2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 64V, negative-QTOFsplash10-004i-9300000000-d6ad5706c5825292a03c2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 77V, negative-QTOFsplash10-004i-9100000000-df323aba3fe0d34ef4472020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-014i-0419100000-8e37a6184a56a1ce0b9e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-004i-9000000000-46d4cee1b5ac630ba9b82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-0a4i-0190000000-e5ee855f41773e79d6032020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-0a4r-1950000000-00c42d75643af2669e6b2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-014r-0119100000-ec7aadc4870ab3921ecc2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, negative-QTOFsplash10-052r-0691000000-113e1278b4a989de2daa2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, positive-QTOFsplash10-0006-0900400000-65f4077bcb5020b2d9a12020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP n/a 32V, positive-QTOFsplash10-00di-0102900000-863c74032b703a479a572020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 3V, positive-QTOFsplash10-014i-0100900000-764a12da50ad51ce04972020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - dCTP Orbitrap 12V, positive-QTOFsplash10-03di-0900200000-7b013855e19e8393c74d2020-07-22HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 10V, Positive-QTOFsplash10-03di-0900000000-939cbd147b029e517cc12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 20V, Positive-QTOFsplash10-03di-2911000000-f4b496ca2bd6dcb383612015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 40V, Positive-QTOFsplash10-03di-4900000000-a5e5fd690ddf513102792015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 10V, Negative-QTOFsplash10-00xu-4110900000-42349a9362c5d3d7c6ef2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 20V, Negative-QTOFsplash10-057r-9540100000-7a06dee6889dcffec4e92015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dCTP 40V, Negative-QTOFsplash10-056r-9610000000-0a85daf50b374c5ac8ba2015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Mitochondria
  • Nucleus
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified29.0 +/- 19.0 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03258
Phenol Explorer Compound IDNot Available
FooDB IDFDB022359
KNApSAcK IDNot Available
Chemspider ID58601
KEGG Compound IDC00458
BioCyc IDDCTP
BiGG ID35027
Wikipedia LinkDeoxycytidine triphosphate
METLIN ID5929
PubChem Compound65091
PDB IDNot Available
ChEBI ID16311
Food Biomarker OntologyNot Available
VMH IDDCTP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceHinz M; Gottschling D; Eritja R; Seliger H Synthesis and properties of 2'-deoxycytidine triphosphate carrying c-myc tag sequence. Nucleosides, nucleotides & nucleic acids (2000), 19(10-12), 1543-52.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Yamauchi T, Ueda T: A sensitive new method for clinically monitoring cytarabine concentrations at the DNA level in leukemic cells. Biochem Pharmacol. 2005 Jun 15;69(12):1795-803. Epub 2005 Apr 26. [PubMed:15935150 ]
  2. Brzezianska E, Zdzieszynska M, Gos R, Lewinski A: [Genetic analysis of rhodopsin and peripherin genes in patients with autosomal dominant retinitis pigmentosa (adRP) in Polish families]. Klin Oczna. 2004;106(6):743-8. [PubMed:15787173 ]
  3. van 't Wout AB: Gene expression profiling of HIV-1 infection using cDNA microarrays. Methods Mol Biol. 2005;304:455-9. [PubMed:16061997 ]
  4. Moriarty TJ, Marie-Egyptienne DT, Autexier C: Regulation of 5' template usage and incorporation of noncognate nucleotides by human telomerase. RNA. 2005 Sep;11(9):1448-60. [PubMed:16120835 ]
  5. Choi JY, Guengerich FP: Adduct size limits efficient and error-free bypass across bulky N2-guanine DNA lesions by human DNA polymerase eta. J Mol Biol. 2005 Sep 9;352(1):72-90. [PubMed:16061253 ]
  6. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Only showing the first 10 proteins. There are 31 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. 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
dCTP + Uridine → dCDP + Uridine 5'-monophosphatedetails
dCTP + Cytidine → dCDP + Cytidine monophosphatedetails
Enzyme Details
2. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
3. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
4. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
5. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
6. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
7. 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 + dCDP → ADP + dCTPdetails
Enzyme Details
8. DNA polymerase beta
General function:
Involved in DNA binding
Specific function:
Repair polymerase that plays a key role in base-excision repair. Has 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity that removes the 5' sugar phosphate and also acts as a DNA polymerase that adds one nucleotide to the 3' end of the arising single-nucleotide gap. Conducts 'gap-filling' DNA synthesis in a stepwise distributive fashion rather than in a processive fashion as for other DNA polymerases.
Gene Name:
POLB
Uniprot ID:
P06746
Molecular weight:
38177.34
Enzyme Details
9. DNA polymerase alpha catalytic subunit
General function:
Involved in nucleotide binding
Specific function:
Plays an essential role in the initiation of DNA replication. During the S phase of the cell cycle, the DNA polymerase alpha complex (composed of a catalytic subunit POLA1/p180, a regulatory subunit POLA2/p70 and two primase subunits PRIM1/p49 and PRIM2/p58) is recruited to DNA at the replicative forks via direct interactions with MCM10 and WDHD1. The primase subunit of the polymerase alpha complex initiates DNA synthesis by oligomerising short RNA primers on both leading and lagging strands. These primers are initially extended by the polymerase alpha catalytic subunit and subsequently transferred to polymerase delta and polymerase epsilon for processive synthesis on the lagging and leading strand, respectively. The reason this transfer occurs is because the polymerase alpha has limited processivity and lacks intrinsic 3' exonuclease activity for proofreading error, and therefore is not well suited for replicating long complexes.
Gene Name:
POLA1
Uniprot ID:
P09884
Molecular weight:
165911.405
Reactions
dCTP + DNA → Pyrophosphate + DNAdetails
Enzyme Details
10. DNA polymerase delta subunit 3
General function:
Involved in protein binding
Specific function:
Required for optimal DNA polymerase delta activity
Gene Name:
POLD3
Uniprot ID:
Q15054
Molecular weight:
51400.0

Only showing the first 10 proteins. There are 31 proteins in total.

Show all enzymes and transporters