BioLiP

PDB

BioLiP

PDB CCD ID:

WSQ

Number of entries in BioLiP:

Chemical formula:

Mo8 O28

InChI:

InChI=1S/8Mo.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1;2*+2

InChIKey:

SDHAQKDVRMJJGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9
CACTVS 3.385	O=[Mo]1234O[Mo]56(=O)(=O)O[Mo]78(=O)(=O)O[Mo](=O)(=O)(=O)([O+]1[Mo]9%10(=O)(=O)O[Mo]%11%12(=O)([O+]5[Mo]%13(=O)(=O)(=O)O[Mo](=O)(=O)(O9)([O+]%11%13)[O++]2%10%12)[O++]367)[O+]48

Name:

OCTAMOLYBDATE

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).