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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059647
Secondary Accession Numbers
  • HMDB59647
Metabolite Identification
Common NameAdenosine 5'-pentaphosphate
DescriptionAdenosine 5'-pentaphosphate, also known as pppppa, belongs to the class of organic compounds known as purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety. Adenosine 5'-pentaphosphate is a strong basic compound (based on its pKa). Adenosine 5'-pentaphosphate exists in all living organisms, ranging from bacteria to humans. A nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position.
Structure
Data?1563865960
Synonyms
ValueSource
5'-O-[(S)-Hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosineChEBI
5'-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosineChEBI
ADENOSINE-5'-pentaphosphATEChEBI
PppppaChEBI
ADENOSINE-5'-pentaphosphoric acidGenerator
Adenosine 5'-pentaphosphoric acidGenerator
Adenosine 5'-(hexahydrogen pentaphosphoric acid)HMDB
Adenosine 5'-pentaphosphateChEBI
Chemical FormulaC10H18N5O19P5
Average Molecular Weight667.1408
Monoisotopic Molecular Weight666.928405979
IUPAC Name[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Nameadenosine-5'-pentaphosphate
CAS Registry NumberNot Available
SMILES
NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
InChI Identifier
InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI KeyWYJWVZZCMBUPSP-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside polyphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside polyphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Alkyl phosphate
  • Pyrimidine
  • Azole
  • Tetrahydrofuran
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organic oxygen compound
  • Alcohol
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
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 Solubility5.58 g/LALOGPS
logP0.44ALOGPS
logP-8.2ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)0.42ChemAxon
pKa (Strongest Basic)5ChemAxon
Physiological Charge-5ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area372.19 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity117.56 m³·mol⁻¹ChemAxon
Polarizability47.61 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]+236.86731661259
DarkChem[M-H]-220.19931661259
DeepCCS[M+H]+198.56430932474
DeepCCS[M-H]-196.82430932474
DeepCCS[M-2H]-230.85830932474
DeepCCS[M+Na]+204.63830932474
AllCCS[M+H]+217.232859911
AllCCS[M+H-H2O]+216.432859911
AllCCS[M+NH4]+218.032859911
AllCCS[M+Na]+218.232859911
AllCCS[M-H]-211.332859911
AllCCS[M+Na-2H]-212.632859911
AllCCS[M+HCOO]-214.232859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4756.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4267.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8245.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4793.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4350.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8059.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4816.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4449.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #11C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7941.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4809.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4371.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8057.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4811.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4363.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8093.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4797.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4358.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8081.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4814.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4456.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #15C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7949.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4810.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4369.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8068.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4797.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4360.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8068.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4819.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4459.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #18C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7961.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4799.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4359.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8073.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4760.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4271.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8267.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4812.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O4453.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #20C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O7964.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4789.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4326.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8074.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4802.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4448.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #22C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O7988.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4813.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O4467.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O8096.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214808.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214372.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218041.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214813.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214368.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #25C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218064.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214814.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214366.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218076.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214801.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214357.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #27C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218069.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4823.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4455.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #28C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7956.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214813.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214378.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218069.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4762.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4276.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8256.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214816.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214370.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218106.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214803.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214365.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #31C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218094.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4819.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4462.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #32C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7960.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214816.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C214376.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C218080.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214804.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214367.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218081.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4825.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4465.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #35C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7971.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214807.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214366.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218085.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4818.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C4459.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #37C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C7975.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214796.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C214333.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C218086.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4808.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4454.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #39C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C7998.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4763.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4268.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8275.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214822.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C214472.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #40C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C218106.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O4859.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O4501.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #41C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O7890.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4859.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4498.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #42C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7926.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4856.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4487.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #43C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7914.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4877.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4577.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #44C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7729.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O4864.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O4497.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #45C[Si](C)(C)O[P@@](=O)(O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O7933.7Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4861.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4486.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #46C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7932.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4881.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4574.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #47C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7763.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4861.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4487.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #48C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7931.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4872.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4571.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #49C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7769.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4749.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C4263.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C8269.5Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4849.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C4454.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #50C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C7930.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4868.8Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4563.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #51C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7795.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4865.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4573.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #52C[Si](C)(C)O[P@@](=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O7879.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4859.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4508.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #53C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7941.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4858.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4496.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #54C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7941.2Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4881.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O4586.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #55C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O7753.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4859.6Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4495.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #56C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7963.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4873.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4578.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #57C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7767.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4850.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4464.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #58C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7956.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4871.3Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4572.5Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #59C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7800.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4792.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4366.9Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #6C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C8199.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=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](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4877.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=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](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O4587.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #60C[Si](C)(C)O[P@](=O)(O[P@@](=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](O)[C@@H]1O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O7877.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4860.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4496.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #61C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7932.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4878.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O4583.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #62C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@@H](O)[C@H]1O7769.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4850.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4463.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #63C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7948.1Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4870.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4573.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #64C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7803.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4880.1Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4585.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #65C[Si](C)(C)O[P@](=O)(O[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O7892.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4849.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4459.6Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #66C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O7934.0Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4874.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O4574.0Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #67C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O7797.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4876.7Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4583.7Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #68C[Si](C)(C)O[P@](=O)(OP(=O)(O)O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O7893.3Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4862.4Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4537.8Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #69C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O7809.9Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4804.5Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4365.4Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O[Si](C)(C)C)O[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8031.6Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4884.2Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O4572.2Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #70C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=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](O)[C@@H]1O7924.4Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4808.9Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4361.1Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O[Si](C)(C)C)O[P@](=O)(O)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8053.8Standard polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4810.0Semi standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O4359.3Standard non polar33892256
Adenosine 5'-pentaphosphate,3TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](CO[P@](=O)(O[Si](C)(C)C)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O8065.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-054t-2431922000-2036d2f3b552dc7a85b12017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Adenosine 5'-pentaphosphate GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-18Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Positive-QTOFsplash10-000i-0911112000-c1b537247c28252d68562017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Positive-QTOFsplash10-000i-0900000000-26929988d73ec77b2d9c2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Positive-QTOFsplash10-000i-1900000000-2426047cff330cee488e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Negative-QTOFsplash10-0159-0601109000-2603df9b37801af04d832017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Negative-QTOFsplash10-001i-3913000000-c70dc0bcb804798c82512017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Negative-QTOFsplash10-004i-9511000000-b78813f701ddff0e18a22017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Negative-QTOFsplash10-014i-0000009000-5637d5da5bf791bb90302021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Negative-QTOFsplash10-014i-0109136000-083922c14d99f96818392021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Negative-QTOFsplash10-0a70-0963000000-15a780b96422f01cdc9f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 10V, Positive-QTOFsplash10-014i-0000009000-7ec76545d19b5b6512f62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 20V, Positive-QTOFsplash10-014i-0200139000-6c4480c33d9fd80f08042021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adenosine 5'-pentaphosphate 40V, Positive-QTOFsplash10-0079-0951100000-6283b7af5a7dea30f2b62021-09-22Wishart 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 LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02738
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID167906
KEGG Compound IDC20198
BioCyc IDCPD-11561
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound193491
PDB ID5FA
ChEBI ID40096
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 References
  1. Leslie NR, McLennan AG, Safrany ST: Cloning and characterisation of hAps1 and hAps2, human diadenosine polyphosphate-metabolising Nudix hydrolases. BMC Biochem. 2002 Jul 16;3:20. [PubMed:12121577 ]

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate), suggesting that it may play a role in signal transduction. Also able to catalyze the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A being the preferred substrates. The major reaction products are ADP and p4a from Ap6A and ADP and ATP from Ap5A. Also able to hydrolyze 5-phosphoribose 1-diphosphate.
Gene Name:
NUDT10
Uniprot ID:
Q8NFP7
Molecular weight:
18499.765
Reactions
Diadenosine hexaphosphate + Water → Adenosine 5'-pentaphosphate + Adenosine monophosphatedetails
General function:
Involved in hydrolase activity
Specific function:
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate), suggesting that it may play a role in signal transduction. Also able to catalyze the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A being the preferred substrates. The major reaction products are ADP and p4a from Ap6A and ADP and ATP from Ap5A. Also able to hydrolyze 5-phosphoribose 1-diphosphate.
Gene Name:
NUDT11
Uniprot ID:
Q96G61
Molecular weight:
18558.835
Reactions
Diadenosine hexaphosphate + Water → Adenosine 5'-pentaphosphate + Adenosine monophosphatedetails