BioLiP

PDB

BioLiP

PDB CCD ID:

A1IMF

Number of entries in BioLiP:

Chemical formula:

C10 H18 O21 V6

InChI:

InChI=1S/2C5H9O4.13O.6V/c2*6-1-5(2-7,3-8)4-9;;;;;;;;;;;;;;;;;;;/h2*6H,1-4H2;;;;;;;;;;;;;;;;;;;/q2*-3;;;;;;;;;;;;;-1;6*+2

InChIKey:

IMCCQTIVVJKDJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C2(C[O-]3[V+2]456(=O)[O-]1[V+2]789(=O)[O-]414%10[V+2]33(=O)([O-]7C2)O[V+2]11(=O)(O5)[O-]2[V+2]4(=O)(O6)(O8)[O-]4[V+2]%10(=O)(O9)(O3)[O-]1CC(C2)(C4)CO)CO
CACTVS 3.385	OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2

Name:

hexavanadate (V6-OH) polyoxometalate

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).