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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 01:58:20 UTC

Update Date

2021-09-26 22:58:53 UTC

HMDB ID

HMDB0248548

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Arabinofuranosylcytosine triphosphate

Description

Arabinofuranosylcytosine triphosphate, also known as cytidine 5'-triphosphoric acid, belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety. Arabinofuranosylcytosine triphosphate has been detected, but not quantified in, milk and milk products. This could make arabinofuranosylcytosine triphosphate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Arabinofuranosylcytosine triphosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Arabinofuranosylcytosine triphosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Arabinofuranosylcytosine 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

  Mrv1652305221920232D          

 29 30  0  0  0  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810   -0.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513   -1.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1414   -0.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -1.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460    0.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466   -1.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507   -0.2727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -0.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118   -1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856   -0.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964   -1.1829    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010   -0.5887    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9987   -0.8858    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 24  8  1  0  0  0  0
 27 16  1  0  0  0  0
 27 17  1  0  0  0  0
 27 18  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
M  END

HMDB0248548
     RDKit          3D
Arabinofuranosylcytosine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -7.6464   -0.9076   -1.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4537   -0.4909   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4365   -1.4023   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532   -0.9398   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.3638   -0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733    0.8826   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -0.0239   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    0.0047    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.0534    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -1.2496   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.3815   -0.6298 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7770   -2.2430   -1.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    0.1398   -0.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4455   -2.0786    0.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873   -1.9801    0.2583 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9565   -2.1166    1.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015   -3.2385   -0.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149   -0.4628   -0.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8745    0.1126   -0.2648 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.5769    0.2080   -1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7649   -0.8039    0.8243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    1.6989    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    1.2088    1.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    2.3469    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537    1.2986    1.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.5727    1.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837    1.2333   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756    2.5860   -0.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1463    0.8142   -0.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3881   -0.1738   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6594   -2.4638   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -1.6304   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    1.7721   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8957    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    0.8192   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -0.0835    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    0.5496   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400   -4.0404   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0182   -1.6641    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    2.0757    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    1.0389    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    2.2631    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698    0.5238    2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4296    2.6031    2.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961    3.2077   -1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  2  0
 29  2  1  0
 25  6  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
 24 42  1  0
 25 43  1  0
 26 44  1  0
 28 45  1  0
M  END

  Mrv1652305221920232D          

 29 30  0  0  0  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810   -0.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513   -1.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1414   -0.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -1.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460    0.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466   -1.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507   -0.2727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -0.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118   -1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856   -0.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964   -1.1829    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010   -0.5887    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9987   -0.8858    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 24  8  1  0  0  0  0
 27 16  1  0  0  0  0
 27 17  1  0  0  0  0
 27 18  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248548

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)

> <INCHI_KEY>
PCDQPRRSZKQHHS-UHFFFAOYSA-N

> <FORMULA>
C9H16N3O14P3

> <MOLECULAR_WEIGHT>
483.1563

> <EXACT_MASS>
482.984511771

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
36.393233310797925

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.82

> <JCHEM_LOGP>
-4.2504901270049515

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.763134812054705

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8853033970474264

> <JCHEM_PKA_STRONGEST_BASIC>
2.2392411070612828

> <JCHEM_POLAR_SURFACE_AREA>
269.19

> <JCHEM_REFRACTIVITY>
98.57599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248548
     RDKit          3D
Arabinofuranosylcytosine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -7.6464   -0.9076   -1.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4537   -0.4909   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4365   -1.4023   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532   -0.9398   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.3638   -0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733    0.8826   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -0.0239   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    0.0047    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.0534    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -1.2496   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.3815   -0.6298 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7770   -2.2430   -1.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    0.1398   -0.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4455   -2.0786    0.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873   -1.9801    0.2583 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9565   -2.1166    1.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015   -3.2385   -0.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149   -0.4628   -0.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8745    0.1126   -0.2648 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.5769    0.2080   -1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7649   -0.8039    0.8243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    1.6989    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    1.2088    1.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    2.3469    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537    1.2986    1.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.5727    1.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837    1.2333   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756    2.5860   -0.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1463    0.8142   -0.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3881   -0.1738   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6594   -2.4638   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -1.6304   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    1.7721   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8957    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    0.8192   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -0.0835    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    0.5496   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400   -4.0404   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0182   -1.6641    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    2.0757    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    1.0389    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    2.2631    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698    0.5238    2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4296    2.6031    2.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961    3.2077   -1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  2  0
 29  2  1  0
 25  6  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
 24 42  1  0
 25 43  1  0
 26 44  1  0
 28 45  1  0
M  END

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0       3.182  -6.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.087  -5.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.846  -0.544   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.381  -1.020   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.650  -6.222   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.136  -0.115   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.890  -1.020   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.366  -2.485   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.929  -3.570   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.745  -7.468   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       1.024  -4.816   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       3.460  -3.731   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       5.136   1.425   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.425  -0.544   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.302  -2.163   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      17.138  -1.732   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      16.149  -3.673   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      15.197  -0.743   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      10.931  -2.564   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       9.979   0.366   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      12.034  -2.798   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      14.095  -0.509   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.990  -1.575   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.906  -2.485   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      14.209  -2.684   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      11.920  -0.623   0.000  0.00  0.00           O+0
HETATM   27  P   UNK     0      15.673  -2.208   0.000  0.00  0.00           P+0
HETATM   28  P   UNK     0      10.455  -1.099   0.000  0.00  0.00           P+0
HETATM   29  P   UNK     0      13.064  -1.653   0.000  0.00  0.00           P+0
CONECT    1    2    5                                                       
CONECT    2    1   12                                                       
CONECT    3    4   23                                                       
CONECT    4    3    6   24                                                  
CONECT    5    1   10   11                                                  
CONECT    6    4    7   13                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7   12   24                                                  
CONECT    9   11   12   15                                                  
CONECT   10    5                                                            
CONECT   11    5    9                                                       
CONECT   12    2    8    9                                                  
CONECT   13    6                                                            
CONECT   14    7                                                            
CONECT   15    9                                                            
CONECT   16   27                                                            
CONECT   17   27                                                            
CONECT   18   27                                                            
CONECT   19   28                                                            
CONECT   20   28                                                            
CONECT   21   29                                                            
CONECT   22   29                                                            
CONECT   23    3   28                                                       
CONECT   24    4    8                                                       
CONECT   25   27   29                                                       
CONECT   26   28   29                                                       
CONECT   27   16   17   18   25                                             
CONECT   28   19   20   23   26                                             
CONECT   29   21   22   25   26                                             
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0248548
HETATM    1  N1  UNL     1      -7.646  -0.908  -1.141  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.454  -0.491  -0.879  1.00  0.00           C  
HETATM    3  C2  UNL     1      -5.436  -1.402  -0.676  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.153  -0.940  -0.394  1.00  0.00           C  
HETATM    5  N2  UNL     1      -3.880   0.364  -0.315  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.573   0.883  -0.027  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.563  -0.024  -0.217  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.715   0.005   0.858  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.745  -0.053   0.497  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.951  -1.250  -0.192  1.00  0.00           O  
HETATM   11  P1  UNL     1       2.575  -1.381  -0.630  1.00  0.00           P  
HETATM   12  O3  UNL     1       2.777  -2.243  -1.847  1.00  0.00           O  
HETATM   13  O4  UNL     1       3.209   0.140  -0.939  1.00  0.00           O  
HETATM   14  O5  UNL     1       3.446  -2.079   0.666  1.00  0.00           O  
HETATM   15  P2  UNL     1       5.087  -1.980   0.258  1.00  0.00           P  
HETATM   16  O6  UNL     1       5.957  -2.117   1.484  1.00  0.00           O  
HETATM   17  O7  UNL     1       5.401  -3.239  -0.840  1.00  0.00           O  
HETATM   18  O8  UNL     1       5.315  -0.463  -0.491  1.00  0.00           O  
HETATM   19  P3  UNL     1       6.875   0.113  -0.265  1.00  0.00           P  
HETATM   20  O9  UNL     1       7.577   0.208  -1.614  1.00  0.00           O  
HETATM   21  O10 UNL     1       7.765  -0.804   0.824  1.00  0.00           O  
HETATM   22  O11 UNL     1       6.767   1.699   0.336  1.00  0.00           O  
HETATM   23  C7  UNL     1      -1.060   1.209   1.699  1.00  0.00           C  
HETATM   24  O12 UNL     1      -0.450   2.347   1.219  1.00  0.00           O  
HETATM   25  C8  UNL     1      -2.554   1.299   1.430  1.00  0.00           C  
HETATM   26  O13 UNL     1      -3.050   2.573   1.627  1.00  0.00           O  
HETATM   27  C9  UNL     1      -4.884   1.233  -0.515  1.00  0.00           C  
HETATM   28  O14 UNL     1      -4.676   2.586  -0.449  1.00  0.00           O  
HETATM   29  N3  UNL     1      -6.146   0.814  -0.792  1.00  0.00           N  
HETATM   30  H1  UNL     1      -8.388  -0.174  -1.288  1.00  0.00           H  
HETATM   31  H2  UNL     1      -5.659  -2.464  -0.741  1.00  0.00           H  
HETATM   32  H3  UNL     1      -3.341  -1.630  -0.232  1.00  0.00           H  
HETATM   33  H4  UNL     1      -2.343   1.772  -0.675  1.00  0.00           H  
HETATM   34  H5  UNL     1      -0.914  -0.896   1.504  1.00  0.00           H  
HETATM   35  H6  UNL     1       1.046   0.819  -0.132  1.00  0.00           H  
HETATM   36  H7  UNL     1       1.318  -0.083   1.452  1.00  0.00           H  
HETATM   37  H8  UNL     1       2.691   0.550  -1.684  1.00  0.00           H  
HETATM   38  H9  UNL     1       4.840  -4.040  -0.598  1.00  0.00           H  
HETATM   39  H10 UNL     1       8.018  -1.664   0.396  1.00  0.00           H  
HETATM   40  H11 UNL     1       5.873   2.076   0.231  1.00  0.00           H  
HETATM   41  H12 UNL     1      -0.899   1.039   2.777  1.00  0.00           H  
HETATM   42  H13 UNL     1      -0.349   2.263   0.230  1.00  0.00           H  
HETATM   43  H14 UNL     1      -3.070   0.524   2.023  1.00  0.00           H  
HETATM   44  H15 UNL     1      -3.430   2.603   2.544  1.00  0.00           H  
HETATM   45  H16 UNL     1      -4.596   3.208  -1.242  1.00  0.00           H  
CONECT    1    2    2   30
CONECT    2    3   29
CONECT    3    4    4   31
CONECT    4    5   32
CONECT    5    6   27
CONECT    6    7   25   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   25   41
CONECT   24   42
CONECT   25   26   43
CONECT   26   44
CONECT   27   28   29   29
CONECT   28   45
END

HMDB0248548
     RDKit          3D
Arabinofuranosylcytosine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -7.6464   -0.9076   -1.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4537   -0.4909   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4365   -1.4023   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532   -0.9398   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.3638   -0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733    0.8826   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -0.0239   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    0.0047    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.0534    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -1.2496   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.3815   -0.6298 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.7770   -2.2430   -1.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    0.1398   -0.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4455   -2.0786    0.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873   -1.9801    0.2583 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9565   -2.1166    1.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015   -3.2385   -0.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149   -0.4628   -0.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8745    0.1126   -0.2648 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.5769    0.2080   -1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7649   -0.8039    0.8243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    1.6989    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    1.2088    1.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    2.3469    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537    1.2986    1.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.5727    1.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837    1.2333   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756    2.5860   -0.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1463    0.8142   -0.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3881   -0.1738   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6594   -2.4638   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -1.6304   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    1.7721   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8957    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    0.8192   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -0.0835    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    0.5496   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400   -4.0404   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0182   -1.6641    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    2.0757    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    1.0389    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    2.2631    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698    0.5238    2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4296    2.6031    2.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961    3.2077   -1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  1  0
 27 29  2  0
 29  2  1  0
 25  6  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
 24 42  1  0
 25 43  1  0
 26 44  1  0
 28 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Arabinofuranosylcytosine triphosphoric acid	Generator
Cytidine 5'-triphosphoric acid	HMDB

Chemical Formula

C₉H₁₆N₃O₁₄P₃

Average Molecular Weight

483.1563

Monoisotopic Molecular Weight

482.984511771

IUPAC Name

({[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

({[3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O

InChI Identifier

InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)

InChI Key

PCDQPRRSZKQHHS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine ribonucleotides

Direct Parent

Pyrimidine ribonucleoside triphosphates

Alternative Parents

Substituents

Pyrimidine ribonucleoside triphosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Pentose monosaccharide
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Imidolactam
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
1,2-diol
Oxacycle
Organoheterocyclic compound
Azacycle
Organopnictogen compound
Amine
Alcohol
Organic oxide
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Primary amine
Organic oxygen compound
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	-0.82	ALOGPS
logP	-4.3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	2.24	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	269.19 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	98.58 m³·mol⁻¹	ChemAxon
Polarizability	36.39 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]+	161.54	30932474
DeepCCS	[M-H]-	158.22	30932474
DeepCCS	[M-2H]-	194.755	30932474
DeepCCS	[M+Na]+	170.105	30932474
AllCCS	[M+H]+	194.5	32859911
AllCCS	[M+H-H2O]+	192.5	32859911
AllCCS	[M+NH4]+	196.3	32859911
AllCCS	[M+Na]+	196.8	32859911
AllCCS	[M-H]-	185.9	32859911
AllCCS	[M+Na-2H]-	186.2	32859911
AllCCS	[M+HCOO]-	186.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Arabinofuranosylcytosine triphosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	5591.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	2916.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	4179.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Arabinofuranosylcytosine triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3763.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3461.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5588.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3762.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3529.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5507.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3667.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3760.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5668.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3906.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3525.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	5179.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3905.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3515.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	5267.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3781.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3721.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5484.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3908.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3523.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	5227.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3771.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3739.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5440.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3900.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3497.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	5288.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3759.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3724.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5527.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3903.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3607.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	5092.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3766.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3465.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5551.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O)=N1	3785.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O)=N1	3821.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O)=N1	5296.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3895.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3570.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	5135.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #22	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3771.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #22	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3803.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #22	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	5380.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3900.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3579.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #23	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	5122.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3772.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3824.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	5344.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3772.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3792.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	5399.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	3762.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	3562.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C1O[Si](C)(C)C	5427.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #27	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3749.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #27	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3551.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #27	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5501.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #28	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3677.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #28	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3766.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #28	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5642.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #29	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3752.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #29	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3555.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #29	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5463.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3758.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3460.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5629.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #30	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3670.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #30	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3774.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #30	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5595.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #31	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3753.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #31	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3533.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #31	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5516.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3657.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3762.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5677.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	3902.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	3621.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	5105.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O)=N1	3777.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O)=N1	3832.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O)=N1	5309.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #35	C[Si](C)(C)OC1C(O)C(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)N=C1O	3891.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #35	C[Si](C)(C)OC1C(O)C(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)N=C1O	3585.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #35	C[Si](C)(C)OC1C(O)C(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)N=C1O	5147.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3764.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3815.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	5393.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #37	C[Si](C)(C)OC1C(O)C(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)N=C1O	3900.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #37	C[Si](C)(C)OC1C(O)C(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)N=C1O	3590.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #37	C[Si](C)(C)OC1C(O)C(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)N=C1O	5129.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3769.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3829.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	5351.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3768.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3800.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	5407.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3677.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3669.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5776.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #40	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	3749.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #40	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	3662.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #40	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O	5304.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #41	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O)C(O[Si](C)(C)C)=N1	3681.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #41	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O)C(O[Si](C)(C)C)=N1	3873.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #41	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O)C(O[Si](C)(C)C)=N1	5436.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #42	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3745.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #42	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3633.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #42	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	5345.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #43	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3673.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #43	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3848.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #43	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5517.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #44	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3753.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #44	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3637.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #44	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	5327.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #45	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3668.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #45	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3866.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #45	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5476.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #46	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3678.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #46	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3841.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #46	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5530.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(=N)N=C2O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3890.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(=N)N=C2O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3694.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #47	C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(=N)N=C2O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4952.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #48	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3791.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #48	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3925.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #48	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O)=N1	5196.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #49	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3786.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #49	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3896.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #49	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	5237.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	3769.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	3555.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O	5412.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #50	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3794.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #50	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3905.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #50	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	5219.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3759.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3543.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5486.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3691.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3759.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5627.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3759.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3552.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5454.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3682.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3775.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5586.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3704.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3503.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5136.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3698.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3553.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #10	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5122.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3630.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3792.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5256.3	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3700.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3559.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5086.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3627.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3813.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5191.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3632.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3782.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5274.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3834.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3549.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	4823.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3726.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3784.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5011.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3830.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3514.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #17	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	4896.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3727.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3768.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5120.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3832.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3522.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #19	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	4851.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3698.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3492.8	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5237.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3724.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3789.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5051.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3722.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3754.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	5137.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #22	C[Si](C)(C)OC1C(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)OC(N2C=CC(=N)N=C2O)C1O	3827.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #22	C[Si](C)(C)OC1C(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)OC(N2C=CC(=N)N=C2O)C1O	3597.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #22	C[Si](C)(C)OC1C(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)OC(N2C=CC(=N)N=C2O)C1O	4694.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3736.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3858.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	4928.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3742.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3820.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	5000.6	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3735.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3835.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	4957.7	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3689.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3589.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #26	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5073.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #27	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3628.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #27	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3818.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #27	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5169.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3686.0	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3559.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #28	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5137.5	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #29	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3623.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #29	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3802.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #29	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5271.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3620.9	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3711.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5333.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3690.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3564.0	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #30	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5095.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #31	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3624.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #31	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3816.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #31	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5199.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3627.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3788.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #32	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5283.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	3819.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	3614.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #33	C[Si](C)(C)OC1C(O)C(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)N=C1O	4707.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3730.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3875.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #34	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	4942.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #35	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3736.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #35	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3838.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #35	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	5013.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3732.1	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3846.9	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #36	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	4964.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(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)C(O)C1O	3687.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(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)C(O)C1O	3643.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #37	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(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)C(O)C1O	4918.8	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3627.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3884.3	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #38	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5058.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3633.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3857.7	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #39	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5129.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3694.2	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3500.1	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5174.4	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #40	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3632.4	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #40	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3865.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #40	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	5080.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #41	C[Si](C)(C)N=C1C=CN(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)C(O)C2O)C(O)=N1	3737.3	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #41	C[Si](C)(C)N=C1C=CN(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)C(O)C2O)C(O)=N1	3913.6	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #41	C[Si](C)(C)N=C1C=CN(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)C(O)C2O)C(O)=N1	4785.2	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3616.5	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3724.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5266.0	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3690.6	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3478.2	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5255.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3603.8	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3714.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	5368.9	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3701.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3582.5	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #8	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5058.1	Standard polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3636.7	Semi standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3808.4	Standard non polar	33892256
Arabinofuranosylcytosine triphosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	5153.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a6r-8895400000-dc35dd3d6329cdac6861	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranosylcytosine triphosphate GC-MS (TMS_2_16) - 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 - Arabinofuranosylcytosine triphosphate 10V, Positive-QTOF	splash10-03di-0901100000-c35d289f50f6f03e2607	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 20V, Positive-QTOF	splash10-03di-2901000000-52ceb0833c1f651ee73e	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 40V, Positive-QTOF	splash10-03di-5900000000-b2b882bb438556aea202	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 10V, Negative-QTOF	splash10-01q9-0520900000-0e5b8be0fa0c2178439b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 20V, Negative-QTOF	splash10-0bwi-9660200000-4db67ca241ce3068a27f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 40V, Negative-QTOF	splash10-004i-9200000000-1f093b0fe69d03ecea98	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 10V, Positive-QTOF	splash10-01q9-0600900000-dab38b3f893454fd6a65	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 20V, Positive-QTOF	splash10-03e9-0934800000-12707606d646949b2bab	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 40V, Positive-QTOF	splash10-03di-0920000000-84be636b4ee260dd54c3	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 10V, Negative-QTOF	splash10-001i-0001900000-29c8c48cd7aa55c93d51	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 20V, Negative-QTOF	splash10-056r-9852200000-c39da1f75317d45e419e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranosylcytosine triphosphate 40V, Negative-QTOF	splash10-004i-9301000000-fd37f32b134a20aa1df2	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	¹³C NMR Spectrum (1D, 200 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	¹H NMR Spectrum (1D, 300 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, 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	¹H NMR Spectrum (1D, 800 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	¹³C NMR Spectrum (1D, 900 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

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

FDB012833

KNApSAcK ID

Not Available

Chemspider ID

573

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Arabinofuranosylcytosine triphosphate

METLIN ID

Not Available

PubChem Compound

593

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 Arabinofuranosylcytosine triphosphate (HMDB0248548)

MOL for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

3D MOL for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

3D SDF for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

3D-SDF for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

PDB for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

3D PDB for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

SMILES for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

INCHI for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

Structure for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

3D Structure for HMDB0248548 (Arabinofuranosylcytosine triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra