BioLiP

PDB

BioLiP

PDB CCD ID:

DVG

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OC[C@@H]1CO[V]2(O)(O)O[V](O)(O)[O+]12
OpenEye OEToolkits 1.9.2	C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO
CACTVS 3.385	OC[CH]1CO[V]2(O)(O)O[V](O)(O)[O+]12
OpenEye OEToolkits 1.9.2	C1C([O+]2[V](O[V]2(O1)(O)O)(O)O)CO

Name:

Divanadate Glycerol ester

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).