BioLiP

PDB

BioLiP

PDB CCD ID:

HF3

Number of entries in BioLiP:

Chemical formula:

H7 Hf3 O15 P

InChI:

InChI=1S/3Hf.H3O4P.7H2O.4O/c;;;1-5(2,3)4;;;;;;;;;;;/h;;;(H3,1,2,3,4);7*1H2;;;;/q2*+3;+4;;;;;;;;;;;;/p-10

InChIKey:

RDEYJDUCCAQDEG-UHFFFAOYSA-D

SMILES:

Software	SMILES
CACTVS 3.385	O[Hf]12(O)O[P@@]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
OpenEye OEToolkits 2.0.7	O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O
CACTVS 3.385	O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4

Name:

SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3

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).