0A

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Summary

Name:L-ADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O7 P
Formal charge:0
Molecular weight:347.221 Da
Component type:L-RNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.019-(5-O-phosphono-beta-L-ribofuranosyl)-9H-purin-6-amine
OpenEye OEToolkits1.7.6[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChIInChI1.03InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
InChIKeyInChI1.03UDMBCSSLTHHNCD-DEGSGYPDSA-N
SMILES_CANONICALCACTVS3.385Nc1ncnc2n(cnc12)[C@H]3O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H]3O
SMILESCACTVS3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N
SMILESOpenEye OEToolkits1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
167327
PDB entries from 2020-08-05