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- ChemComp-BVA: TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE -

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Basic information

EntryDatabase: PDB chemical components / ID: BVA
NameName: trihydroxy[(N-hydroxybenzamidato)oxo]vanadate

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Chemical information

Composition
Formula: C7H9NO5V / Number of atoms: 23 / Formula weight: 238.092 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: BVA / Ideal coordinates details: Corina / Ambiguous flag: Yes
History
Create componentApr 19, 2007
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

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

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InChI

InChI 1.06InChI=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

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InChIKey

InChI 1.06YGVAPMMGCYHYQY-UHFFFAOYSA-K

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PDB entries

Showing all 1 items

PDB-2p8o:
Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A

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