Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-18 17:48:04 UTC
Update Date2021-09-14 15:38:59 UTC
HMDB IDHMDB0060660
Secondary Accession Numbers
  • HMDB60660
Metabolite Identification
Common Name6-Mercaptopurine ribonucleoside 5'-diphosphate
Description6-Mercaptopurine ribonucleoside 5'-diphosphate, also known as 6-thioinosine-5'-diphosphate or 6-MPR 5'-DP, belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. 6-Mercaptopurine ribonucleoside 5'-diphosphate is a metabolite of mercaptopurine. 6-Mercaptopurine ribonucleoside 5'-diphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine.
Structure
Data?1563866088
Synonyms
ValueSource
6-Thioinosine-5'-diphosphateKegg
6-Thioinosine-5'-diphosphoric acidGenerator
6-Mercaptopurine ribonucleoside 5'-diphosphoric acidGenerator
6-MPR 5'-DPHMDB
Chemical FormulaC10H14N4O10P2S
Average Molecular Weight444.251
Monoisotopic Molecular Weight443.990586402
IUPAC Name[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Name6-thioinosine-5'-diphosphate
CAS Registry NumberNot Available
SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S
InChI Identifier
InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChI KeyMHJZYMCYLFGDRD-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside diphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside diphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Purinethione
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Pyrimidinethione
  • Monosaccharide
  • Pyrimidine
  • Alkyl phosphate
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Azacycle
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organosulfur compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
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 Solubility2.74 g/LALOGPS
logP-0.84ALOGPS
logP-1.9ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)1.79ChemAxon
pKa (Strongest Basic)0.5ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area206.58 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity88.25 m³·mol⁻¹ChemAxon
Polarizability35.92 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]+195.90931661259
DarkChem[M-H]-185.60631661259
DeepCCS[M+H]+148.63130932474
DeepCCS[M-H]-146.25130932474
DeepCCS[M-2H]-180.14630932474
DeepCCS[M+Na]+155.35230932474
AllCCS[M+H]+189.632859911
AllCCS[M+H-H2O]+187.432859911
AllCCS[M+NH4]+191.732859911
AllCCS[M+Na]+192.332859911
AllCCS[M-H]-181.532859911
AllCCS[M+Na-2H]-181.532859911
AllCCS[M+HCOO]-181.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-Mercaptopurine ribonucleoside 5'-diphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S4756.5Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S2431.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphateO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S3951.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3750.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S)N=CN=C213748.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)O3791.3Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O3796.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TMS,isomer #5C[Si](C)(C)SC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O3637.3Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3680.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O3753.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3577.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3705.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3722.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3536.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S)N=CN=C213705.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213725.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213532.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C3747.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)O3593.6Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3625.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3356.1Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C4785.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213685.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213394.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214704.6Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213484.8Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213674.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C215357.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3715.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3436.1Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4563.5Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C3541.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C3718.9Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C5121.1Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3550.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3721.1Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O5144.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3651.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3356.8Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C4815.1Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3444.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3629.0Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C5555.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3676.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3387.8Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4663.3Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3492.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3685.0Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O5284.7Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3680.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3387.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4690.1Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3485.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3678.9Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O5342.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213678.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213395.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214679.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213488.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213681.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C215310.0Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3624.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3353.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C4503.3Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213483.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213636.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C214854.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3530.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3671.6Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4635.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3444.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3613.9Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C5027.5Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3627.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3353.4Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C4513.1Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3440.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3605.6Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C5094.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3661.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3383.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4368.8Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3481.8Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3642.6Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O4825.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3486.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3640.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O4838.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #8C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213660.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #8C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213391.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #8C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214386.7Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213477.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213639.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C214853.0Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3601.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C3328.3Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C4250.0Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3482.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3565.4Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4598.8Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3481.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3562.3Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4597.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3515.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O3585.3Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O4356.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213511.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C213582.3Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,5TMS,isomer #5C[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)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C)N=CN=C214385.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3537.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C3494.1Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,6TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C4187.3Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3955.8Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S)N=CN=C213956.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)O3987.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O4003.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)SC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O3852.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4025.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O4149.6Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3980.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4087.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4095.6Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O3930.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #5CC(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)O)O[C@H]1N1C=NC2=C(S)N=CN=C214078.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214093.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C213929.8Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4137.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)O3983.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4147.9Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3851.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4984.5Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214207.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213856.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214904.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C214046.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C214222.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C215478.6Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4250.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3855.8Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4766.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4105.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4239.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C5281.0Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4114.5Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4216.1Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O5306.4Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4147.0Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C3856.4Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C5013.5Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4008.2Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C4204.5Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C5619.3Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4209.6Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O3853.2Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S)N=CN=C32)[C@@H]1O4865.2Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4069.4Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4228.6Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O5411.0Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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(S)N=CN=C32)[C@@H]1O4217.3Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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(S)N=CN=C32)[C@@H]1O3846.9Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=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(S)N=CN=C32)[C@@H]1O4891.1Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4053.1Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O4227.7Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(S[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O5464.3Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #8CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214196.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #8CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C213862.9Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,isomer #8CC(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)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(S)N=CN=C214881.9Standard polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C214061.7Semi standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C214224.3Standard non polar33892256
6-Mercaptopurine ribonucleoside 5'-diphosphate,3TBDMS,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)O)O[C@H]1N1C=NC2=C(S[Si](C)(C)C(C)(C)C)N=CN=C215435.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-5930300000-31dfee2dc64dac2173422017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate GC-MS (2 TMS) - 70eV, Positivesplash10-00ba-9813120000-d130650a40641d63e0ab2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 10V, Positive-QTOFsplash10-0udi-0911300000-77831ef22bda8eece98a2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 20V, Positive-QTOFsplash10-0udi-1900000000-511c92ee56b2d9ebd8382017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 40V, Positive-QTOFsplash10-0udi-3900000000-b1eed68e6241bd0a37632017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 10V, Negative-QTOFsplash10-0f6x-0900800000-0cc56ae1263a2b31185d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 20V, Negative-QTOFsplash10-0ufr-6900000000-36f228fc8689c2dbd6682017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 40V, Negative-QTOFsplash10-004i-9300000000-5eea230bb5c4e13f588d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 10V, Negative-QTOFsplash10-0006-0003900000-fffd096372553b5ce7b82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 20V, Negative-QTOFsplash10-004i-9300000000-13a2f59140035ffddcb72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 40V, Negative-QTOFsplash10-004i-9100000000-0d3f6f522236ad2b7cc02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 10V, Positive-QTOFsplash10-0udi-0900100000-c9037fc1e16dbbd907812021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 20V, Positive-QTOFsplash10-0udi-0900000000-67dad22e2593a56a87772021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Mercaptopurine ribonucleoside 5'-diphosphate 40V, Positive-QTOFsplash10-0udi-0900000000-e0f209adf7db791f09512021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC16616
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3038401
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available