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BioLiP

PDB CCD ID: VTZ
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N O6 V
InChI: InChI=1S/C8H11NO2.4O.V/c1-3-6-8(11)7(10)4-5-9(6)2;;;;;/h4-5,11H,3H2,1-2H3;;;;;/q;;3*-1;+4/p-1
InChIKey: PNFKDCNTOXLWCD-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C
CACTVS 3.385CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C
Name:1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4
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).
  • 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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