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BioLiP

PDB CCD ID: DVG
Number of entries in BioLiP: 2
Chemical formula: C3 H10 O8 V2
InChI: InChI=1S/C3H6O3.4H2O.O.2V/c4-1-3(6)2-5;;;;;;;/h3-4H,1-2H2;4*1H2;;;/q;;;;;;+2;+3/p-4/t3-;;;;;;;/m1......./s1
InChIKey: NROZHPLEEURAFR-ALWRQVICSA-J
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@@H]1CO[V]2(O)(O)O[V](O)(O)[O+]12
OpenEye OEToolkits 1.9.2C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO
CACTVS 3.385OC[CH]1CO[V]2(O)(O)O[V](O)(O)[O+]12
OpenEye OEToolkits 1.9.2C1C([O+]2[V](O[V]2(O1)(O)O)(O)O)CO
Name:Divanadate Glycerol ester
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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