BioLiP

PDB

BioLiP

PDB CCD ID:

H7N

Number of entries in BioLiP:

Chemical formula:

C10 H23 O3 P

InChI:

InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)

InChIKey:

ALZDUSNEVXETKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCC[P@@](=O)(O)OCCCC
OpenEye OEToolkits 2.0.6	CCCCCCP(=O)(O)OCCCC
CACTVS 3.385	CCCCCC[P](O)(=O)OCCCC

Name:

butoxy(hexyl)phosphinic acid

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).