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BioLiP

PDB CCD ID: BVA
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O5 V
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
InChIKey: YGVAPMMGCYHYQY-UHFFFAOYSA-K
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=O[V](ON2)(O)(O)O
CACTVS 3.385O[V](O)(O)ONC(=O)c1ccccc1
Name:TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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