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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-05-23 00:56:17 UTC
Update Date2021-09-14 14:57:49 UTC
HMDB IDHMDB0006336
Secondary Accession Numbers
  • HMDB06336
Metabolite Identification
Common NameADP-ribose 2'-phosphate
DescriptionADP-ribose 2'-phosphate belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. ADP-ribose 2'-phosphate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make ADP-ribose 2'-phosphate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on ADP-ribose 2'-phosphate.
Structure
Data?1582752381
Synonyms
ValueSource
ADP-Ribose 2'-phosphoric acidGenerator
2'-Phosphoadenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate]HMDB
ADP-D-Ribose 2'-phosphateHMDB
ADPribose 2'-phosphateHMDB
{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonateHMDB
Adenosine 2'-phosphate 5'-diphosphate riboseHMDB
Adenosine 2’-phosphate 5’-diphosphate riboseHMDB
Chemical FormulaC15H24N5O17P3
Average Molecular Weight639.2956
Monoisotopic Molecular Weight639.038003903
IUPAC Name{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Traditional Nameadp-ribose 2'-phosphate
CAS Registry Number4197-14-2
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O
InChI Identifier
InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
InChI KeyOCOLIMYIUOUURJ-ZQSHOCFMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine nucleotide sugars
Direct ParentPurine nucleotide sugars
Alternative Parents
Substituents
  • Purine nucleotide sugar
  • Purine ribonucleoside 2',5'-bisphosphate
  • Purine ribonucleoside bisphosphate
  • Purine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Pyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Alkyl phosphate
  • Tetrahydrofuran
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Organopnictogen compound
  • Primary alcohol
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
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 Solubility5.97 g/LALOGPS
logP-1.4ALOGPS
logP-6.6ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)0.65ChemAxon
pKa (Strongest Basic)3.99ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area338.05 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity122 m³·mol⁻¹ChemAxon
Polarizability51.34 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+191.98230932474
DeepCCS[M-H]-190.31530932474
DeepCCS[M-2H]-224.34930932474
DeepCCS[M+Na]+198.12530932474
AllCCS[M+H]+222.932859911
AllCCS[M+H-H2O]+222.032859911
AllCCS[M+NH4]+223.832859911
AllCCS[M+Na]+224.132859911
AllCCS[M-H]-214.632859911
AllCCS[M+Na-2H]-215.832859911
AllCCS[M+HCOO]-217.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ADP-ribose 2'-phosphateNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O5011.0Standard polar33892256
ADP-ribose 2'-phosphateNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O3279.0Standard non polar33892256
ADP-ribose 2'-phosphateNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O5188.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
ADP-ribose 2'-phosphate,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O4827.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@@H]1O4801.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O4820.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4824.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #5C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O4896.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #6C[Si](C)(C)OP(=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O4908.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #7C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C214938.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TMS,isomer #8C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4861.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H]1O4659.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@@H]1O4689.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O4680.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@@H]1O4727.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #13C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4705.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O4639.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #15C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O4708.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #16C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O4700.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #17C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O4753.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4725.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4714.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H]1O4633.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4723.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C4765.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4738.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #23C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C214826.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #24C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)OP(=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C4782.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #25C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4799.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #26C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214831.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #27C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4807.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #28C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C4842.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #29C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4830.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O[Si](C)(C)C4610.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #30C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O)[Si](C)(C)C4761.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O4730.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H]1O4720.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H]1O4769.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #7C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4751.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@@H]1O4613.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C4607.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O4482.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H]1O4567.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4585.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O[Si](C)(C)C4507.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C4498.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H]1O[Si](C)(C)C4543.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4566.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #16C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H]1O4593.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #17C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H]1O4635.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4648.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #19C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H]1O4626.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C4456.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4641.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #21C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H]1O4637.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4670.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #23C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O4603.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #24C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C4454.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@@H]1O4502.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O4492.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O4537.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4573.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #29C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C4502.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H]1O4548.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #30C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C4491.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #31C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C4542.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4577.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O4554.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)[C@@H]1O4596.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4612.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O4586.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O4607.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]2O)[C@@H]1O4599.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4631.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O4539.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@@H]1O4559.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #41C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O4526.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #42C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H]1O4517.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #43C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O4565.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4598.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #45C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O4577.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #46C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O4620.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4638.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #48C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H](CO)[C@H]1O4612.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4631.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H]1O4582.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #50C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O4624.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4659.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #52C[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O4581.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #53C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O4581.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #54C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C4612.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4642.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #56C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C4623.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4653.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #58C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4619.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O[Si](C)(C)C4670.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1OP(=O)(O)O4610.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #60C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1OP(=O)(O)O4597.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C4672.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #62C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214670.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #63C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4719.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O4695.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #65C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O4644.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C4681.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C4728.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #68C[Si](C)(C)OP(=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O4651.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4730.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4465.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214692.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H]1O4532.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O4524.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O5044.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@@H]1O5020.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O5035.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5039.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O5092.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O5104.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215138.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5071.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O5026.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@@H]1O5056.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5045.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O5090.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5028.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O5003.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O5078.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O5069.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]2O)O[C@H](CO)[C@H]1O5111.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O5054.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #19CC(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[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5067.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5019.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O5080.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C5111.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OP(=O)(O)O5053.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C215159.2Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](OP(=O)(O)O)[C@@H]1O)OP(=O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C5132.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5121.1Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C215167.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1OP(=O)(O)O5132.6Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21)O[Si](C)(C)C(C)(C)C5172.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C5158.3Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4985.9Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O)[Si](C)(C)C(C)(C)C5087.7Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)[C@H](O)[C@@H]1O5098.5Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O5090.8Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H]1O5137.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O5072.4Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O4981.0Semi standard non polar33892256
ADP-ribose 2'-phosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C4977.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9410032000-ca53d053b86bbfca77b62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - ADP-ribose 2'-phosphate GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP-ribose 2'-phosphate Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-006x-1900000000-e7f197c7f942b20c0d372018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP-ribose 2'-phosphate Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-006x-9000000000-48fc9e85d63ef85b36342018-05-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - ADP-ribose 2'-phosphate Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0006-9000000000-1bbeba801e2897d3fd9c2018-05-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 10V, Positive-QTOFsplash10-000i-1900741000-7e785f79246380214d072017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 20V, Positive-QTOFsplash10-000i-0900000000-39d82948d0338999c0b12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 40V, Positive-QTOFsplash10-000i-1910300000-49a0f3cc00068c56963d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 10V, Negative-QTOFsplash10-0019-6610139000-acfd723721923b6616302017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 20V, Negative-QTOFsplash10-003r-4910000000-a7a48918162dacf771732017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 40V, Negative-QTOFsplash10-057l-4900000000-3c7c465eabca386cfa2b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 10V, Positive-QTOFsplash10-0006-0100009000-7c2b31d453d14c6882382021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 20V, Positive-QTOFsplash10-055u-2704859000-e9cde366f082659d7a9d2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 40V, Positive-QTOFsplash10-000b-3926310000-42fc74b3207b0f8cc41f2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 10V, Negative-QTOFsplash10-000i-0000009000-85c798df0dff69d9d61b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 20V, Negative-QTOFsplash10-004r-7300953000-7dc500ec58ffc5e1c7ae2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - ADP-ribose 2'-phosphate 40V, Negative-QTOFsplash10-056r-7900520000-cecd0b688c00f1f39ccf2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
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 IDFDB112186
KNApSAcK IDNot Available
Chemspider ID388983
KEGG Compound IDC03246
BioCyc IDNot Available
BiGG ID41491
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439957
PDB IDNot Available
ChEBI ID37463
Food Biomarker OntologyNot Available
VMH IDADPRBP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in NAD+ nucleosidase activity
Specific function:
Synthesizes cyclic ADP-ribose, a second messenger that elicits calcium release from intracellular stores. May be involved in pre-B-cell growth.
Gene Name:
BST1
Uniprot ID:
Q10588
Molecular weight:
35723.545
General function:
Involved in NAD+ nucleosidase activity
Specific function:
Synthesizes cyclic ADP-ribose, a second messenger for glucose-induced insulin secretion. Also has cADPr hydrolase activity. Also moonlights as a receptor in cells of the immune system.
Gene Name:
CD38
Uniprot ID:
P28907
Molecular weight:
34328.145
General function:
Involved in transferase activity, transferring phosphorus-containing groups
Specific function:
Catalyzes the last step of tRNA splicing, the transfer of the splice junction 2'-phosphate from ligated tRNA to NAD to produce ADP-ribose 1''-2'' cyclic phosphate (Probable).
Gene Name:
TRPT1
Uniprot ID:
Q86TN4
Molecular weight:
27741.69