BioLiP

PDB

BioLiP

PDB CCD ID:

A1JFD

Number of entries in BioLiP:

Chemical formula:

C4 H8 O10 V2

InChI:

InChI=1S/C4H5O5.4H2O.O.2V/c5-2(4(8)9)1-3(6)7;;;;;;;/h2H,1H2,(H,6,7)(H,8,9);4*1H2;;;/q+1;;;;;;+2;+3/p-5/t2-;;;;;;;/m0......./s1

InChIKey:

SZLWDXFDQGIOCQ-DXXUISRYSA-I

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(=O)O
OpenEye OEToolkits 2.0.7	C([C@H]1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(=O)O
CACTVS 3.385	OC(=O)C[C@@H]1[O+]2[V](O)(O)O[V]2(O)(O)OC1=O
CACTVS 3.385	OC(=O)C[CH]1[O+]2[V](O)(O)O[V]2(O)(O)OC1=O

Name:

2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid;
dioxovanadium(V) complex of malic acid

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).