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I4O

Summary
Name:Histidine oxo-vanadium complex
Synonyms:[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium
Formula:C6 H8 N3 O6 V
Formal charge:-3
Formula weight:269.086 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4;;;;;/h2-3,5H,1,7H2,(H2,8,9,10,11);;;;;/q;;3*-1;+1/p-1/t5-;;;;;/m0...../s1
InChIKeyInChI1.06MEHUMAARUKETGW-HNJBGNBTSA-M
SMILES_CANONICALCACTVS3.385N[C@@H](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
SMILESCACTVS3.385N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(ncn1[V](=O)([O-])([O-])[O-])C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.7c1c(ncn1[V](=O)([O-])([O-])[O-])CC(C(=O)O)N

227344

PDB entries from 2024-11-13

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