BioLiP

PDB

BioLiP

PDB CCD ID:

LJB

Number of entries in BioLiP:

Chemical formula:

H15 Mo8 O26

InChI:

InChI=1S/8Mo.15H2O.11O/h;;;;;;;;15*1H2;;;;;;;;;;;/q2*+1;5*+2;+3;;;;;;;;;;;;;;;;;;;;;5*+1;+2/p-15

InChIKey:

BTBGOQYWAXYGKM-UHFFFAOYSA-A

SMILES:

Software	SMILES
CACTVS 3.385	O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10
OpenEye OEToolkits 2.0.7	O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O

Name:

MO(8)-O(26) Cluster

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).