Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

BVA : Summary

Code

BVA

One-letter code

X

Molecule name

TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,2,2-tris(oxidanyl)-5-phenyl-1$l^{3},3-dioxa-4-aza-2$l^{5}-vanadacyclopent-5-ene

Formula

C7 H9 N O5 V

Formal charge

0

Molecular weight

238.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[V](O)(O)ONC(=O)c1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=O[V](ON2)(O)(O)O
Canonical SMILES CACTVS 3.385 O[V](O)(O)ONC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=O[V](ON2)(O)(O)O

IUPAC InChI

InChI=1S/C7H6NO2.3H2O.V/c9-7(8-10)6-4-2-1-3-5-6;;;;/h1-5H,(H-,8,9,10);3*1H2;/q-1;;;;+4/p-3

IUPAC InChI key

YGVAPMMGCYHYQY-UHFFFAOYSA-K
BVA

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-04-19

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned