BioLiP

PDB

BioLiP

PDB CCD ID:

K3G

Number of entries in BioLiP:

Chemical formula:

Mo12 O40 P

InChI:

InChI=1S/12Mo.HO4P.12H2O.24O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;5H;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q8*+1;4*+2;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-12

InChIKey:

STLJVKBKUFJRJR-UHFFFAOYSA-B

SMILES:

Software	SMILES
	O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]9%10(=O)(O[P+]%11%12O[Mo]%13%14(=O)(O2)O[Mo](=O)(O3)(O[Mo]%15(=O)(O[Mo]%16(=O)(O[Mo](=O)(O4)(O%13)O[Mo](=O)(O%11)(O5)(O7)O[Mo](=O)(O%12)(O%16)(O%15)O8)O%14)O9)O%10)O6
OpenEye OEToolkits 1.7.6	O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8

Name:

Phosphomolybdate keggin

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).