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Showing metabocard for Xanthosine 5-triphosphate (HMDB0000293)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:38:59 UTC
HMDB IDHMDB0000293
Secondary Accession Numbers
  • HMDB00293
Metabolite Identification
Common NameXanthosine 5-triphosphate
DescriptionXanthosine 5-triphosphate (XTP) is a Guanosine triphosphate (GTP) analogue. The base of XTP, xanthine, bears a keto group instead of an amino group at C2 of the purine rings. XTP can substitute for GTP in supporting receptor-mediated adenylyl cyclase activation. XTP competitively inhibits the binding of GTP to the guanine nucleotide-binding site of retinal G-protein, transducin (TD). These suggests that GTP, ITP, and XTP are differential signal sorters and signal amplifiers at the G-protein level. G-proteins mediate signal transfer from receptors to effector systems. (PMID: 9337071 ). Xanthosine 5-triphosphate is an intermediate of the Purine metabolism pathway, a substrate of the enzymes dinucleoside tetraphosphatase (EC 3.6.1.17) and nucleoside-triphosphate pyrophosphatase (EC 3.6.1.19). (KEGG).
Structure
Data?1582752121
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000293 (Xanthosine 5-triphosphate)

Xanthosine dihydrate.mol
  Mrv0541 02231218262D          

 32 34  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000293 (Xanthosine 5-triphosphate)

HMDB0000293
     RDKit          3D
Xanthosine 5-triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9252   -1.0605   -0.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1302   -0.5958    0.5540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.6278   -1.9017    1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    0.5125    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7365    0.1348    1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.7937   -0.0829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9308   -0.0995   -1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3158   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9961    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    1.0181   -0.9711 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9563    0.3134   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    2.5991   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.1667   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.9823   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0731   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6967    0.8165   -0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.2084    0.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8965    0.2807    0.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.2850    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083    1.4441    1.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    0.5301    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    0.2649    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    0.9756    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -0.7355   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -1.4694   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0340   -2.5106   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.1902   -0.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -0.1919    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -0.9968    1.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1841   -2.3469    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.6988    0.9940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2866   -1.8445    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -2.6603    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3144    1.1806   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    3.0524   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    2.6874   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    1.5659    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    1.6661   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.6291   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -0.8106   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    1.9053    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    0.7347    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -2.6500   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178   -0.6841    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -2.8822    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.0724    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -2.0560   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 15  1  0
 28 18  1  0
 28 21  1  0
  3 33  1  0
  4 34  1  0
  8 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  6
 17 40  1  6
 19 41  1  0
 23 42  1  0
 26 43  1  0
 29 44  1  1
 30 45  1  0
 31 46  1  1
 32 47  1  0
M  END
Download

3D SDF for HMDB0000293 (Xanthosine 5-triphosphate)

Xanthosine dihydrate.mol
  Mrv0541 02231218262D          

 32 34  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000293

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1

> <INCHI_KEY>
CAEFEWVYEZABLA-UUOKFMHZSA-N

> <FORMULA>
C10H15N4O15P3

> <MOLECULAR_WEIGHT>
524.1652

> <EXACT_MASS>
523.974675366

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
39.110572741633405

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
-4.084659859164519

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5001185652499767

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9553097133699824

> <JCHEM_PKA_STRONGEST_BASIC>
0.016352817248879492

> <JCHEM_POLAR_SURFACE_AREA>
293.56999999999994

> <JCHEM_REFRACTIVITY>
95.02169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
xanthosine 5-triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000293 (Xanthosine 5-triphosphate)

HMDB0000293
     RDKit          3D
Xanthosine 5-triphosphate
 47 49  0  0  0  0  0  0  0  0999 V2000
   -7.9252   -1.0605   -0.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1302   -0.5958    0.5540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -8.6278   -1.9017    1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    0.5125    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7365    0.1348    1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    0.7937   -0.0829 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9308   -0.0995   -1.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3158   -0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9961    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    1.0181   -0.9711 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9563    0.3134   -2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    2.5991   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.1667   -0.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.9823   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0731   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6967    0.8165   -0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.2084    0.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8965    0.2807    0.5662 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.2850    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083    1.4441    1.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    0.5301    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    0.2649    0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    0.9756    1.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7392   -0.7355   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -1.4694   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0340   -2.5106   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.1902   -0.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877   -0.1919    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -0.9968    1.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1841   -2.3469    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.6988    0.9940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2866   -1.8445    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -2.6603    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3144    1.1806   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051    3.0524   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    2.6874   -2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    1.5659    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    1.6661   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.6291   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -0.8106   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    1.9053    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    0.7347    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -2.6500   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178   -0.6841    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -2.8822    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -0.0724    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072   -2.0560   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 15  1  0
 28 18  1  0
 28 21  1  0
  3 33  1  0
  4 34  1  0
  8 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  6
 17 40  1  6
 19 41  1  0
 23 42  1  0
 26 43  1  0
 29 44  1  1
 30 45  1  0
 31 46  1  1
 32 47  1  0
M  END
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PDB for HMDB0000293 (Xanthosine 5-triphosphate)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Xanthosine dihydrate.mol                          
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       2.696  -1.382   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.231  -1.858   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.755  -3.322   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.660  -4.568   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.785  -3.322   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.690  -4.568   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.261  -1.858   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.015  -0.953   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -2.726  -1.382   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -3.971  -2.287   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -5.217  -1.382   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -4.741   0.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.511   1.416   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -7.051   1.416   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      -4.741   2.750   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -3.201   2.750   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.431   4.084   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      -2.431   1.416   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -3.201   0.083   0.000  0.00  0.00           C+0
HETATM   20  P   UNK     0       5.272  -2.072   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0       6.760  -1.674   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.784  -2.471   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.784   3.479   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.671  -3.560   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.873  -0.585   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0       5.962   0.504   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0       7.051   1.593   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.051  -0.585   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.873   1.593   0.000  0.00  0.00           O+0
HETATM   30  P   UNK     0       5.272   3.081   0.000  0.00  0.00           P+0
HETATM   31  O   UNK     0       5.671   4.568   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.760   2.682   0.000  0.00  0.00           O+0
CONECT    1    2   22                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   12    9                                                  
CONECT   20   21   22   24   25                                             
CONECT   21   20                                                            
CONECT   22   20    1                                                       
CONECT   23   30                                                            
CONECT   24   20                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   30                                                       
CONECT   30   29   23   31   32                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END
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3D PDB for HMDB0000293 (Xanthosine 5-triphosphate)

COMPND    HMDB0000293
HETATM    1  O1  UNL     1      -7.925  -1.060  -0.879  1.00  0.00           O  
HETATM    2  P1  UNL     1      -8.130  -0.596   0.554  1.00  0.00           P  
HETATM    3  O2  UNL     1      -8.628  -1.902   1.490  1.00  0.00           O  
HETATM    4  O3  UNL     1      -9.433   0.513   0.525  1.00  0.00           O  
HETATM    5  O4  UNL     1      -6.737   0.135   1.157  1.00  0.00           O  
HETATM    6  P2  UNL     1      -5.795   0.794  -0.083  1.00  0.00           P  
HETATM    7  O5  UNL     1      -5.931  -0.099  -1.294  1.00  0.00           O  
HETATM    8  O6  UNL     1      -6.450   2.316  -0.446  1.00  0.00           O  
HETATM    9  O7  UNL     1      -4.197   0.996   0.387  1.00  0.00           O  
HETATM   10  P3  UNL     1      -3.191   1.018  -0.971  1.00  0.00           P  
HETATM   11  O8  UNL     1      -3.956   0.313  -2.094  1.00  0.00           O  
HETATM   12  O9  UNL     1      -2.919   2.599  -1.510  1.00  0.00           O  
HETATM   13  O10 UNL     1      -1.775   0.167  -0.728  1.00  0.00           O  
HETATM   14  C1  UNL     1      -0.667   0.982  -0.516  1.00  0.00           C  
HETATM   15  C2  UNL     1       0.522   0.073  -0.314  1.00  0.00           C  
HETATM   16  O11 UNL     1       1.697   0.817  -0.092  1.00  0.00           O  
HETATM   17  C3  UNL     1       2.602  -0.208   0.170  1.00  0.00           C  
HETATM   18  N1  UNL     1       3.897   0.281   0.566  1.00  0.00           N  
HETATM   19  C4  UNL     1       4.174   1.285   1.404  1.00  0.00           C  
HETATM   20  N2  UNL     1       5.508   1.444   1.524  1.00  0.00           N  
HETATM   21  C5  UNL     1       6.106   0.530   0.753  1.00  0.00           C  
HETATM   22  C6  UNL     1       7.435   0.265   0.518  1.00  0.00           C  
HETATM   23  O12 UNL     1       8.463   0.976   1.103  1.00  0.00           O  
HETATM   24  N3  UNL     1       7.739  -0.736  -0.322  1.00  0.00           N  
HETATM   25  C7  UNL     1       6.757  -1.469  -0.926  1.00  0.00           C  
HETATM   26  O13 UNL     1       7.034  -2.511  -1.800  1.00  0.00           O  
HETATM   27  N4  UNL     1       5.465  -1.190  -0.680  1.00  0.00           N  
HETATM   28  C8  UNL     1       5.088  -0.192   0.159  1.00  0.00           C  
HETATM   29  C9  UNL     1       1.913  -0.997   1.263  1.00  0.00           C  
HETATM   30  O14 UNL     1       2.184  -2.347   1.023  1.00  0.00           O  
HETATM   31  C10 UNL     1       0.432  -0.699   0.994  1.00  0.00           C  
HETATM   32  O15 UNL     1      -0.287  -1.845   0.746  1.00  0.00           O  
HETATM   33  H1  UNL     1      -8.003  -2.660   1.476  1.00  0.00           H  
HETATM   34  H2  UNL     1      -9.314   1.181  -0.180  1.00  0.00           H  
HETATM   35  H3  UNL     1      -5.805   3.052  -0.270  1.00  0.00           H  
HETATM   36  H4  UNL     1      -2.086   2.687  -2.011  1.00  0.00           H  
HETATM   37  H5  UNL     1      -0.777   1.566   0.442  1.00  0.00           H  
HETATM   38  H6  UNL     1      -0.453   1.666  -1.340  1.00  0.00           H  
HETATM   39  H7  UNL     1       0.679  -0.629  -1.146  1.00  0.00           H  
HETATM   40  H8  UNL     1       2.675  -0.811  -0.769  1.00  0.00           H  
HETATM   41  H9  UNL     1       3.466   1.905   1.930  1.00  0.00           H  
HETATM   42  H10 UNL     1       8.845   0.735   2.024  1.00  0.00           H  
HETATM   43  H11 UNL     1       6.473  -2.650  -2.654  1.00  0.00           H  
HETATM   44  H12 UNL     1       2.218  -0.684   2.269  1.00  0.00           H  
HETATM   45  H13 UNL     1       1.373  -2.882   1.217  1.00  0.00           H  
HETATM   46  H14 UNL     1       0.021  -0.072   1.792  1.00  0.00           H  
HETATM   47  H15 UNL     1      -0.307  -2.056  -0.235  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   33
CONECT    4   34
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   35
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   36
CONECT   13   14
CONECT   14   15   37   38
CONECT   15   16   31   39
CONECT   16   17
CONECT   17   18   29   40
CONECT   18   19   28
CONECT   19   20   20   41
CONECT   20   21
CONECT   21   22   22   28
CONECT   22   23   24
CONECT   23   42
CONECT   24   25   25
CONECT   25   26   27
CONECT   26   43
CONECT   27   28   28
CONECT   29   30   31   44
CONECT   30   45
CONECT   31   32   46
CONECT   32   47
END
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SMILES for HMDB0000293 (Xanthosine 5-triphosphate)

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O
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INCHI for HMDB0000293 (Xanthosine 5-triphosphate)

InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
O(5')-(Tetrahydroxytriphosphoryl)xanthosineChEBI
Triphopsphoric acid 1-xanthosin-5'-yl esterChEBI
Xanthosine 5'-triphosphateChEBI
Xanthosine triphosphateChEBI
Triphopsphate 1-xanthosin-5'-yl esterGenerator
Triphopsphic acid 1-xanthosin-5'-yl esterGenerator
Xanthosine 5'-triphosphoric acidGenerator
Xanthosine triphosphoric acidGenerator
Xanthosine 5-triphosphoric acidGenerator
5'-XTPHMDB
Xanthosine mono(tetrahydrogen triphosphate)HMDB
XTPHMDB
Xanthosine 5'-triphosphate 2Sodium saltHMDB
Chemical FormulaC10H15N4O15P3
Average Molecular Weight524.1652
Monoisotopic Molecular Weight523.974675366
IUPAC Name({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional Namexanthosine 5-triphosphate
CAS Registry Number6253-56-1
SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O
InChI Identifier
InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChI KeyCAEFEWVYEZABLA-UUOKFMHZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside triphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Xanthine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Alkaloid or derivatives
  • Monoalkyl phosphate
  • Hydroxypyrimidine
  • Alkyl phosphate
  • Pyrimidine
  • Phosphoric acid ester
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.04 g/LALOGPS
logP-0.45ALOGPS
logP-4.1ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)0.96ChemAxon
pKa (Strongest Basic)0.016ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area293.57 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity95.02 m³·mol⁻¹ChemAxon
Polarizability39.11 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+215.38531661259
DarkChem[M-H]-203.70131661259
AllCCS[M+H]+199.44932859911
AllCCS[M-H]-191.24332859911
DeepCCS[M+H]+167.14930932474
DeepCCS[M-H]-165.25430932474
DeepCCS[M-2H]-198.49230932474
DeepCCS[M+Na]+173.31530932474
AllCCS[M+H]+199.432859911
AllCCS[M+H-H2O]+197.732859911
AllCCS[M+NH4]+201.132859911
AllCCS[M+Na]+201.532859911
AllCCS[M-H]-191.232859911
AllCCS[M+Na-2H]-191.532859911
AllCCS[M+HCOO]-192.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Xanthosine 5-triphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O5010.5Standard polar33892256
Xanthosine 5-triphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O2619.6Standard non polar33892256
Xanthosine 5-triphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O4321.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Xanthosine 5-triphosphate,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4309.5Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214312.6Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #3C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14166.9Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #4C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4124.2Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O4335.6Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #6C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4360.0Semi standard non polar33892256
Xanthosine 5-triphosphate,1TMS,isomer #7C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4333.2Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #1C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4004.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214216.4Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214203.3Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #12C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N13938.3Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #13C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14110.0Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #14C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14120.8Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #15C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N14117.0Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #16C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4052.6Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #17C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4063.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #18C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4058.5Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #19C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O4251.2Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #2C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N14060.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #20C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4238.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #21C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4257.4Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #22C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4239.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4160.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4194.5Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4213.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4200.2Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #7C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4006.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #8C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N14060.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214195.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13806.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4060.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4071.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4067.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4095.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4095.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4111.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4090.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #17C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13803.7Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #18C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3903.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #19C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3911.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #2C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3884.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #20C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3904.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #21C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13974.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #22C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13985.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #23C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13983.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214091.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214091.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214109.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214088.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #28C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N13841.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #29C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N13841.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #3C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3904.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #30C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13835.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #31C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14010.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #32C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N14016.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #33C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N14036.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #34C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N14020.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #35C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O3938.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #36C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3942.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #37C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3950.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #38C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3940.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #39C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4127.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #4C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3911.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #40C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4114.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #41C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4131.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #5C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3902.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #6C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13951.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #7C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13974.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #8C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13985.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TMS,isomer #9C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13980.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13736.3Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #10C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3841.3Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #11C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3833.9Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #12C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13887.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #13C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13892.5Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #14C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13885.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #15C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13919.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #16C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13918.7Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #17C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13923.0Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #18C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13911.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4012.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #2C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13773.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4019.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4028.6Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #22C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C4005.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4051.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4040.6Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4042.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #26C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13766.9Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #27C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13758.7Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #28C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13760.3Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #29C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3838.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #3C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13763.5Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #30C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3839.7Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #31C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3838.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #32C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3831.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #33C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13916.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #34C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13913.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #35C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13919.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #36C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13909.5Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #37C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214051.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214037.4Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #39C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214043.9Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #4C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13762.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #40C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N13796.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #41C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13803.0Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #42C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13796.0Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #43C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13807.2Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #44C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13962.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #45C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13959.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #46C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13961.7Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #47C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3873.0Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #48C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3870.9Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #49C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3870.1Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #5C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3820.3Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #50C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4048.8Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #6C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3820.7Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #7C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3814.9Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #8C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3841.0Semi standard non polar33892256
Xanthosine 5-triphosphate,4TMS,isomer #9C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3843.6Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13731.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13530.8Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15898.6Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #10C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3791.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #10C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3591.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #10C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5583.2Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #11C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3784.1Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #11C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3573.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #11C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5676.1Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #12C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3828.0Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #12C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3629.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #12C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5357.6Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #13C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3828.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #13C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3600.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #13C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5434.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #14C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3821.8Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #14C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3608.4Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #14C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5397.2Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #15C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13842.4Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #15C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13577.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #15C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15576.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #16C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13850.7Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #16C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13559.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #16C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15693.3Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #17C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13852.6Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #17C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13569.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #17C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15632.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #18C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13840.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #18C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13550.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #18C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15722.1Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #19C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13895.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #19C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13605.9Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #19C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15406.7Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #2C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13728.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #2C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13530.0Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #2C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15835.2Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #20C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13891.6Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #20C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13576.4Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #20C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15478.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #21C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13886.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #21C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13585.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #21C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15447.3Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #22C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3996.0Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #22C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3638.7Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #22C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C5314.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3979.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3610.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C5393.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3983.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C3618.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C5353.4Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4020.2Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O3650.7Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O5081.1Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #26C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13762.4Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #26C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13598.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #26C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15643.5Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #27C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13772.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #27C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13580.1Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #27C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15762.4Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #28C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13768.0Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #28C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13590.4Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #28C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15688.2Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #29C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13769.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #29C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13571.3Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #29C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15780.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #3C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13728.0Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #3C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N13522.9Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #3C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N15949.5Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #30C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3827.7Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #30C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3661.6Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #30C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5387.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #31C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3826.8Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #31C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3632.7Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #31C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5463.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #32C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3821.2Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #32C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3639.3Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #32C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5415.0Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #33C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13894.8Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #33C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13640.1Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #33C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15436.9Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #34C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13890.3Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #34C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13611.0Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #34C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15508.0Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #35C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13887.2Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #35C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N13618.4Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #35C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N15465.1Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214020.3Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C213685.9Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C215111.7Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #37C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13791.2Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #37C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13634.7Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #37C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N15510.7Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #38C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13808.8Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #38C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13605.4Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #38C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N15582.7Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #39C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13794.8Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #39C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13611.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #39C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N15538.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #4C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13766.6Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #4C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13567.0Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #4C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15612.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #40C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13923.6Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #40C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N13664.3Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #40C[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]3O)C2=N15246.5Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #41C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3846.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #41C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3685.8Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #41C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O5198.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #5C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13775.1Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #5C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13547.2Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #5C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15732.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #6C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13768.5Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #6C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13558.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #6C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15670.3Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #7C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13768.9Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #7C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N13538.5Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #7C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N15761.8Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #8C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3789.7Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #8C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3599.7Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #8C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5526.1Standard polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #9C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3792.2Semi standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #9C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3581.9Standard non polar33892256
Xanthosine 5-triphosphate,5TMS,isomer #9C[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5647.7Standard polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4513.6Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214516.6Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14387.6Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4360.1Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O4552.8Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4573.8Semi standard non polar33892256
Xanthosine 5-triphosphate,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4566.2Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4334.6Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214577.0Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214574.3Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14301.0Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14485.5Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14502.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C2=N14493.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4414.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4430.0Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4415.7Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O4632.7Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C2=N14411.5Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4634.6Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4657.1Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4629.8Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4487.4Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4556.9Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4578.3Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4575.3Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4337.8Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14416.2Semi standard non polar33892256
Xanthosine 5-triphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214554.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C2=N14349.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4538.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4550.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4535.7Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4613.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4612.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4621.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@@H]1O4606.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14348.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4387.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4394.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4314.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4379.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14475.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14487.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14473.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214609.7Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214610.5Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214622.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(O)N=C(O)N=C214606.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14395.4Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14399.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4387.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C2=N14398.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=N14549.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C2=N14543.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C2=N14557.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C2=N14546.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4452.7Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4447.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4455.8Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4448.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4673.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4394.9Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4664.0Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(O)N=C(O)N=C32)[C@H](O)[C@@H]1O4668.3Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=NC(O)=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4376.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C2=N14403.1Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C2=N14477.2Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C2=N14486.6Semi standard non polar33892256
Xanthosine 5-triphosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=NC(O)=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C2=N14472.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6s-8956230000-c953b27fc23e558f8bc32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (2 TMS) - 70eV, Positivesplash10-0fmi-3120921000-30ff3765201db0daec172017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Xanthosine 5-triphosphate GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 10V, Positive-QTOFsplash10-0udi-0911220000-7c9e13bd8e928a2e57852015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 20V, Positive-QTOFsplash10-0udi-0900000000-840c07c15dbc79ad0f2e2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 40V, Positive-QTOFsplash10-0udi-1900000000-bd6b424553d7863069792015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 10V, Negative-QTOFsplash10-0kor-1830690000-f39abfd999faa04d61952015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 20V, Negative-QTOFsplash10-0kbf-9620000000-5b4fb80ecb79a04155182015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 40V, Negative-QTOFsplash10-056r-9710000000-ed7594e6df7e2139120b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 10V, Positive-QTOFsplash10-0udi-0900010000-34d38de7734016d848402021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 20V, Positive-QTOFsplash10-0udi-0900000000-80965add49e2ab233b2c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 40V, Positive-QTOFsplash10-0uxr-0982000000-f089c3e029edf74721dc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 10V, Negative-QTOFsplash10-00di-0000190000-79bde14d72b9665fa8162021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 20V, Negative-QTOFsplash10-004i-9710120000-bccf656c48d8b7c059fa2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Xanthosine 5-triphosphate 40V, Negative-QTOFsplash10-004i-9200100000-d64535400bb7e16803e72021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Tissue Locations
  • Prostate
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021932
KNApSAcK IDNot Available
Chemspider ID388429
KEGG Compound IDC00700
BioCyc IDNot Available
BiGG ID35735
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439296
PDB IDNot Available
ChEBI ID10049
Food Biomarker OntologyNot Available
VMH IDXTP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis Referenceanachkov I; Pan J Y; Wessling-Resnick M; Wright G E Synthesis and effect of nonhydrolyzable xanthosine triphosphate derivatives on prenylation of Rab5D136N. Molecular pharmacology (1997), 51(1), 47-51.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Klinker JF, Seifert R: Functionally nonequivalent interactions of guanosine 5'-triphosphate, inosine 5'-triphosphate, and xanthosine 5'-triphosphate with the retinal G-protein, transducin, and with Gi-proteins in HL-60 leukemia cell membranes. Biochem Pharmacol. 1997 Sep 1;54(5):551-62. [PubMed:9337071 ]

Enzymes

Enzyme Details
1. Inosine triphosphate pyrophosphatase
General function:
Involved in hydrolase activity
Specific function:
Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.
Gene Name:
ITPA
Uniprot ID:
Q9BY32
Molecular weight:
16833.23
Reactions
Xanthosine 5-triphosphate + Water → Xanthylic acid + Pyrophosphatedetails
Enzyme Details
2. Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]
General function:
Involved in hydrolase activity
Specific function:
Asymmetrically hydrolyzes Ap4A to yield AMP and ATP. Plays a major role in maintaining homeostasis.
Gene Name:
NUDT2
Uniprot ID:
P50583
Molecular weight:
16829.09
Reactions
P1,P4-Bis(5'-xanthosyl) tetraphosphate + Water → Xanthosine 5-triphosphate + Xanthylic aciddetails