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6BR

Summary
Name:threoninevanadate
Formula:C4 H8 N O7 V
Formal charge:-3
Formula weight:233.05 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)
OpenEye OEToolkits2.0.4[(2~{R},3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-tris(oxidanidyl)-oxidanylidene-vanadium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
InChIInChI1.03InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8;;;;;/h2-3H,5H2,1H3,(H,7,8);;;;;/q-1;;3*-1;+1/t2-,3+;;;;;/m1...../s1
InChIKeyInChI1.03SQLQLYFUDRNKTK-YEICSIFDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](O[V]([O-])([O-])([O-])=O)[C@H](N)C(O)=O
SMILESCACTVS3.385C[CH](O[V]([O-])([O-])([O-])=O)[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-]
SMILESOpenEye OEToolkits2.0.4CC(C(C(=O)O)N)O[V](=O)([O-])([O-])[O-]

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PDB entries from 2024-07-10

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