BioLiP

PDB

BioLiP

PDB CCD ID:

XBO

Number of entries in BioLiP:

Chemical formula:

Mo7 O24

InChI:

InChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;2*+2

InChIKey:

NYHCXVHTJMRCCX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=[Mo]123(=O)O[Mo]4567O[Mo]89(=O)(=O)O[Mo]%10%11(=O)(=O)O[Mo](=O)(=O)(O1)([O+]4%10)[O++]25[Mo]%12(=O)(=O)(O3)O[Mo](=O)(=O)(O8)([O+]6%12)[O++]79%11
OpenEye OEToolkits 1.7.6	O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5

Name:

HEPTAMOLYBDATE

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).