HBI

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Summary

Name:7,8-DIHYDROBIOPTERIN
Formula:C9 H13 N5 O3
Formal charge:0
Molecular weight:239.231 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one
OpenEye OEToolkits1.5.02-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
SMILES_CANONICALCACTVS3.341C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
SMILESCACTVS3.341C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
SMILESOpenEye OEToolkits1.5.0CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
InChIInChI1.03InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKeyInChI1.03FEMXZDUTFRTWPE-DZSWIPIPSA-N