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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:07:43 UTC

Update Date

2021-09-26 22:54:57 UTC

HMDB ID

HMDB0246090

Secondary Accession Numbers

None

Metabolite Identification

Common Name

3'-Deoxy-cytidine-5'-triphosphate

Description

3'-Deoxy-cytidine-5'-triphosphate belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Based on a literature review very few articles have been published on 3'-Deoxy-cytidine-5'-triphosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 3'-deoxy-cytidine-5'-triphosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 3'-Deoxy-cytidine-5'-triphosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112101082D          

 28 29  0  0  0  0            999 V2000
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -0.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938   -5.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287   -4.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462   -5.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -6.0167    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569   -5.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -6.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751   -6.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -7.4378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -8.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -7.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274   -6.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END

HMDB0246090
     RDKit          3D
3'-Deoxy-cytidine-5'-triphosphate
 44 45  0  0  0  0  0  0  0  0999 V2000
   -6.5736    2.5875    1.5123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6101    1.5695    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2667    1.8619    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454    0.8738    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545   -0.4062    0.6624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -1.4732    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.9333    0.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.7976   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -1.1488   -1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.2269   -0.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -0.5649   -0.4746 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7583   -2.0595   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    0.2539   -1.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135   -0.0834    0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.5862    0.3993 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6338    1.9774   -0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.3923   -0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    0.6224    1.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.2198    1.2089 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.5669    0.2094    1.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8371    2.6237    2.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3687    1.6462   -0.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -1.6499   -1.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -2.1864   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -3.5738   -0.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722   -0.6810    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4214   -1.9011    0.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9643    0.2799    1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7450    3.2952    0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    2.6622    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    2.8708    1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    1.1021    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -2.1987    1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    0.2698   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977   -1.1223   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -2.1577   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.4945   -2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    0.1195   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130    3.1850    2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    2.5958   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -2.4777   -2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975   -1.0949   -2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164   -2.0338   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -3.7433   -0.1213 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
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  2  0
 24  6  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 13 37  1  0
 17 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 25 44  1  0
M  END

  Mrv1652309112101082D          

 28 29  0  0  0  0            999 V2000
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960   -0.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938   -5.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287   -4.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462   -5.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -6.0167    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569   -5.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -6.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751   -6.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -7.4378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -8.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -7.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274   -6.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246090

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(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)

> <INCHI_KEY>
CHKFLBOLYREYDO-UHFFFAOYSA-N

> <FORMULA>
C9H16N3O13P3

> <MOLECULAR_WEIGHT>
467.156

> <EXACT_MASS>
466.989598581

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.96188896511682

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.49

> <JCHEM_LOGP>
-3.4636297286999804

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.533194932845125

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9566984860505228

> <JCHEM_PKA_STRONGEST_BASIC>
0.021419842794188404

> <JCHEM_POLAR_SURFACE_AREA>
247.96999999999994

> <JCHEM_REFRACTIVITY>
86.06639999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0246090
     RDKit          3D
3'-Deoxy-cytidine-5'-triphosphate
 44 45  0  0  0  0  0  0  0  0999 V2000
   -6.5736    2.5875    1.5123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6101    1.5695    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2667    1.8619    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454    0.8738    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545   -0.4062    0.6624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -1.4732    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.9333    0.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.7976   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -1.1488   -1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.2269   -0.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -0.5649   -0.4746 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7583   -2.0595   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    0.2539   -1.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135   -0.0834    0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.5862    0.3993 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6338    1.9774   -0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.3923   -0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    0.6224    1.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.2198    1.2089 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.5669    0.2094    1.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8371    2.6237    2.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3687    1.6462   -0.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -1.6499   -1.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -2.1864   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -3.5738   -0.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722   -0.6810    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4214   -1.9011    0.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9643    0.2799    1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7450    3.2952    0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    2.6622    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    2.8708    1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    1.1021    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -2.1987    1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    0.2698   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977   -1.1223   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -2.1577   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.4945   -2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    0.1195   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130    3.1850    2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    2.5958   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -2.4777   -2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975   -1.0949   -2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164   -2.0338   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -3.7433   -0.1213 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
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  2  0
 24  6  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 13 37  1  0
 17 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 25 44  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       2.580  -3.215   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.104  -4.680   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.564  -4.680   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.088  -3.215   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -1.377  -2.739   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.521  -3.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.986  -3.294   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.306  -1.788   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -3.162  -0.757   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.697  -1.233   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.553  -0.202   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      -5.771  -1.312   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       3.009  -5.926   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.382  -7.333   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0       3.288  -8.578   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0       2.042  -9.484   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.534  -7.673   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.193  -9.824   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0       3.566 -11.231   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0       2.160 -10.605   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.973 -11.858   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.940 -12.638   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0       3.845 -13.884   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0       4.751 -15.130   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.599 -14.789   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.091 -12.979   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5                                                            
CONECT    7    4    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14   10                                                            
CONECT   15    2   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25                                                       
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

COMPND    HMDB0246090
HETATM    1  N1  UNL     1      -6.574   2.587   1.512  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.610   1.569   1.223  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.267   1.862   1.091  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.345   0.874   0.812  1.00  0.00           C  
HETATM    5  N2  UNL     1      -3.754  -0.406   0.662  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.827  -1.473   0.370  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.564  -0.933   0.284  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.225  -0.798  -1.038  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.254  -1.149  -1.182  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.936  -0.227  -0.358  1.00  0.00           O  
HETATM   11  P1  UNL     1       2.574  -0.565  -0.475  1.00  0.00           P  
HETATM   12  O3  UNL     1       2.758  -2.059  -0.639  1.00  0.00           O  
HETATM   13  O4  UNL     1       3.193   0.254  -1.829  1.00  0.00           O  
HETATM   14  O5  UNL     1       3.413  -0.083   0.925  1.00  0.00           O  
HETATM   15  P2  UNL     1       4.890   0.586   0.399  1.00  0.00           P  
HETATM   16  O6  UNL     1       4.634   1.977  -0.104  1.00  0.00           O  
HETATM   17  O7  UNL     1       5.495  -0.392  -0.844  1.00  0.00           O  
HETATM   18  O8  UNL     1       5.965   0.622   1.707  1.00  0.00           O  
HETATM   19  P3  UNL     1       7.454   1.220   1.209  1.00  0.00           P  
HETATM   20  O9  UNL     1       8.567   0.209   1.440  1.00  0.00           O  
HETATM   21  O10 UNL     1       7.837   2.624   2.080  1.00  0.00           O  
HETATM   22  O11 UNL     1       7.369   1.646  -0.430  1.00  0.00           O  
HETATM   23  C7  UNL     1      -2.109  -1.650  -1.868  1.00  0.00           C  
HETATM   24  C8  UNL     1      -3.118  -2.186  -0.909  1.00  0.00           C  
HETATM   25  O12 UNL     1      -2.907  -3.574  -0.746  1.00  0.00           O  
HETATM   26  C9  UNL     1      -5.072  -0.681   0.793  1.00  0.00           C  
HETATM   27  O13 UNL     1      -5.421  -1.901   0.646  1.00  0.00           O  
HETATM   28  N3  UNL     1      -5.964   0.280   1.065  1.00  0.00           N  
HETATM   29  H1  UNL     1      -6.745   3.295   0.765  1.00  0.00           H  
HETATM   30  H2  UNL     1      -7.096   2.662   2.393  1.00  0.00           H  
HETATM   31  H3  UNL     1      -3.900   2.871   1.203  1.00  0.00           H  
HETATM   32  H4  UNL     1      -2.274   1.102   0.706  1.00  0.00           H  
HETATM   33  H5  UNL     1      -2.831  -2.199   1.210  1.00  0.00           H  
HETATM   34  H6  UNL     1      -1.365   0.270  -1.368  1.00  0.00           H  
HETATM   35  H7  UNL     1       0.598  -1.122  -2.217  1.00  0.00           H  
HETATM   36  H8  UNL     1       0.362  -2.158  -0.704  1.00  0.00           H  
HETATM   37  H9  UNL     1       2.449   0.495  -2.435  1.00  0.00           H  
HETATM   38  H10 UNL     1       5.524   0.120  -1.682  1.00  0.00           H  
HETATM   39  H11 UNL     1       7.013   3.185   2.152  1.00  0.00           H  
HETATM   40  H12 UNL     1       7.077   2.596  -0.546  1.00  0.00           H  
HETATM   41  H13 UNL     1      -1.519  -2.478  -2.325  1.00  0.00           H  
HETATM   42  H14 UNL     1      -2.598  -1.095  -2.697  1.00  0.00           H  
HETATM   43  H15 UNL     1      -4.116  -2.034  -1.314  1.00  0.00           H  
HETATM   44  H16 UNL     1      -2.158  -3.743  -0.121  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   24   33
CONECT    7    8
CONECT    8    9   23   34
CONECT    9   10   35   36
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   37
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   38
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   39
CONECT   22   40
CONECT   23   24   41   42
CONECT   24   25   43
CONECT   25   44
CONECT   26   27   27   28
END

HMDB0246090
     RDKit          3D
3'-Deoxy-cytidine-5'-triphosphate
 44 45  0  0  0  0  0  0  0  0999 V2000
   -6.5736    2.5875    1.5123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6101    1.5695    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2667    1.8619    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454    0.8738    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545   -0.4062    0.6624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -1.4732    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.9333    0.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.7976   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -1.1488   -1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -0.2269   -0.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -0.5649   -0.4746 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7583   -2.0595   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    0.2539   -1.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135   -0.0834    0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.5862    0.3993 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.6338    1.9774   -0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.3923   -0.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    0.6224    1.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.2198    1.2089 P   0  0  0  0  0  5  0  0  0  0  0  0
    8.5669    0.2094    1.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8371    2.6237    2.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3687    1.6462   -0.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -1.6499   -1.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -2.1864   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -3.5738   -0.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722   -0.6810    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4214   -1.9011    0.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9643    0.2799    1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7450    3.2952    0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    2.6622    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    2.8708    1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    1.1021    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -2.1987    1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    0.2698   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977   -1.1223   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -2.1577   -0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.4945   -2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    0.1195   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130    3.1850    2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    2.5958   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -2.4777   -2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975   -1.0949   -2.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164   -2.0338   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -3.7433   -0.1213 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
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 24 25  1  0
  5 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  2  0
 24  6  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 13 37  1  0
 17 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 25 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3'-Deoxy-cytidine-5'-triphosphoric acid	Generator

Chemical Formula

C₉H₁₆N₃O₁₃P₃

Average Molecular Weight

467.156

Monoisotopic Molecular Weight

466.989598581

IUPAC Name

({[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

({[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC1O

InChI Identifier

InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(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)

InChI Key

CHKFLBOLYREYDO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents

Substituents

Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Imidolactam
Oxolane
Heteroaromatic compound
Secondary alcohol
Azacycle
Oxacycle
Organic oxide
Organic oxygen compound
Primary amine
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.49	ALOGPS
logP	-3.5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	0.96	ChemAxon
pKa (Strongest Basic)	0.021	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	247.97 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	86.07 m³·mol⁻¹	ChemAxon
Polarizability	34.96 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	170.093	30932474
DeepCCS	[M-H]-	166.266	30932474
DeepCCS	[M-2H]-	202.724	30932474
DeepCCS	[M+Na]+	178.659	30932474
AllCCS	[M+H]+	191.6	32859911
AllCCS	[M+H-H2O]+	189.5	32859911
AllCCS	[M+NH4]+	193.5	32859911
AllCCS	[M+Na]+	194.1	32859911
AllCCS	[M-H]-	183.6	32859911
AllCCS	[M+Na-2H]-	183.9	32859911
AllCCS	[M+HCOO]-	184.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-Deoxy-cytidine-5'-triphosphate	NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC1O	4532.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate	NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC1O	2891.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate	NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC1O	4094.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3829.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3510.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	5946.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3810.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3605.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5798.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3866.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3667.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	5828.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C	3895.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C	3712.5	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C	6049.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3838.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3523.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	6005.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3818.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3510.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5968.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3869.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3545.5	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	6034.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3837.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3631.5	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5771.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	3814.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	3619.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	5761.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	3883.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	3668.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	5784.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3818.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3637.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5804.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	3884.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	3692.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	5799.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3729.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3559.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	5541.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	3845.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	3729.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O)C=C1	5273.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3735.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3636.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5412.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3821.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3711.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	5343.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	3819.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	3763.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	5467.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3732.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3643.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5432.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3822.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3728.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	5326.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3811.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3789.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	5431.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3828.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3698.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	5366.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3811.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3763.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	5518.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3714.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3546.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5553.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3831.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3602.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	5491.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3713.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3558.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5570.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3830.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3612.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	5471.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3718.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3532.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5579.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3811.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3600.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	5537.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3808.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3652.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5680.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	3728.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	3659.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C	5392.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3658.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3582.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5204.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3723.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3691.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5224.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3692.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3650.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5052.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3792.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	3743.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O)C=C1	4912.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3751.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3812.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4963.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3801.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3718.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	4958.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	3758.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	3789.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	5065.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3800.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	3725.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O)C=C1	4938.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3753.0	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3815.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	5011.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3760.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3777.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	5082.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3775.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	3653.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C)C=C1	5017.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3660.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3554.5	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5248.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3767.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3636.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	5117.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3731.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3692.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5179.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3663.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	3559.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N)=NC1=O	5235.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3771.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3647.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	5063.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3725.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3708.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	5116.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3768.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3619.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	5135.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(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)OC1N1C=CC(N)=NC1=O	3624.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(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)OC1N1C=CC(N)=NC1=O	3558.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(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)OC1N1C=CC(N)=NC1=O	4892.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	3722.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	3799.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)O[Si](C)(C)C	4609.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3735.0	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3767.5	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4682.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3722.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	3784.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1	4632.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3725.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3658.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	4648.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3697.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3710.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4704.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3733.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3627.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	4721.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3706.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3692.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4830.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3725.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	3633.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CC2O[Si](C)(C)C)C=C1	4669.2	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3698.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3712.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4744.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3706.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3671.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4847.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O)C=C1	3756.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O)C=C1	3728.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O)C=C1	4497.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O[Si](C)(C)C)C=C1	3680.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O[Si](C)(C)C)C=C1	3632.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N(C2OC(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)CC2O[Si](C)(C)C)C=C1	4263.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3689.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3695.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #2	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4373.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3699.0	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3655.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #3	C[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4442.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3689.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	3665.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #4	C[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4388.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3727.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3749.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,6TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4229.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	4255.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3851.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	5999.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	4245.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3919.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5899.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4342.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4022.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	5873.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C(C)(C)C	4285.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C(C)(C)C	4028.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1)[Si](C)(C)C(C)(C)C	5957.1	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	4252.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3860.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	6032.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	4257.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	3857.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	6012.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	4349.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	3919.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	5983.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4257.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3958.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	5855.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	4246.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	3951.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	5854.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	4344.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	4015.0	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O)C=C1	5835.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	4241.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	3963.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5874.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	4338.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	4026.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	5831.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	4345.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	3998.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=CC(N)=NC1=O	5633.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	4457.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	4177.7	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O)C=C1	5412.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4360.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4049.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5544.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4456.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4178.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	5494.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	4394.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	4204.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1)OP(=O)(O)OP(=O)(O)O	5548.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #14	CC(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)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	4341.8	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #14	CC(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)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	4057.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #14	CC(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)OCC1CC(O)C(N2C=CC(N)=NC2=O)O1	5534.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4448.7	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4192.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	5449.5	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	4385.6	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	4220.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	5493.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4455.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	4139.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC2O)C=C1	5528.7	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	4385.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	4215.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1CC(O)C(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O1	5580.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	4359.3	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	3994.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	5664.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	4474.1	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	4078.4	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	5606.9	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	4346.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	4004.9	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	5652.3	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	4465.9	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	4086.8	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)CC2O[Si](C)(C)C(C)(C)C)C=C1	5561.6	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	4363.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	3964.3	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(N)=NC1=O	5702.8	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)C=C1	4477.2	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)C=C1	4091.6	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)C=C1	5637.4	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	4383.4	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	4110.1	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1N1C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC1=O	5686.0	Standard polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	4339.5	Semi standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	4088.2	Standard non polar	33892256
3'-Deoxy-cytidine-5'-triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1CC(O)C(N2C=CC(N)=NC2=O)O1)O[Si](C)(C)C(C)(C)C	5484.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9535100000-e5a2bca20e20e647c4a2	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 10V, Positive-QTOF	splash10-03di-0900200000-e4e0fc26082a1d26ef81	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 20V, Positive-QTOF	splash10-03di-0915100000-9fd3cd889b3f70764378	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 40V, Positive-QTOF	splash10-03di-1930000000-ca4f9a130f2998d26b32	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 10V, Negative-QTOF	splash10-014i-0001900000-a27bdb47f59e916fc7ad	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 20V, Negative-QTOF	splash10-00os-8537900000-7a766e14af51d5d7ccbe	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Deoxy-cytidine-5'-triphosphate 40V, Negative-QTOF	splash10-004i-9201000000-9b2426b6fd15f4867ffe	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

11547540

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22677567

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 3'-Deoxy-cytidine-5'-triphosphate (HMDB0246090)

MOL for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

3D MOL for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

3D SDF for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

3D-SDF for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

PDB for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

3D PDB for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

SMILES for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

INCHI for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

Structure for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

3D Structure for HMDB0246090 (3'-Deoxy-cytidine-5'-triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra