BioLiP

PDB

BioLiP

PDB CCD ID:

MNW

Number of entries in BioLiP:

Chemical formula:

C6 H9 O7 V

InChI:

InChI=1S/C6H6O3.4H2O.V/c1-4-6(8)5(7)2-3-9-4;;;;;/h2-3H,1H3,(H-,7,8);4*1H2;/q;;;;;+6/p-5

InChIKey:

YLEPPWNUQSQYPV-UHFFFAOYSA-I

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[o+]ccc2O[V](O)(O)(O)(O)Oc12
OpenEye OEToolkits 2.0.7	Cc1c2c(cc[o+]1)O[V](O2)(O)(O)(O)O

Name:

8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene

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).