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8HG

Summary
Name:2'-DEOXY-8-OXOGUANOSINE
Formula:C10 H13 N5 O5
Formal charge:0
Formula weight:283.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-8-oxoguanosine
OpenEye OEToolkits1.5.02-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO
SMILES_CANONICALCACTVS3.341NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1
SMILESCACTVS3.341NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO)O3)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O
InChIInChI1.03InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1
InChIKeyInChI1.03HCAJQHYUCKICQH-VPENINKCSA-N

222415

数据于2024-07-10公开中

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