BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0L

Number of entries in BioLiP:

Chemical formula:

C10 H13 O6 P

InChI:

InChI=1S/C10H13O6P/c1-15-10(12)8-2-4-9(5-3-8)17(13,14)16-7-6-11/h2-5,11H,6-7H2,1H3,(H,13,14)

InChIKey:

AQWCOZWQBGLFLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)c1ccc(cc1)P(=O)(O)OCCO
CACTVS 3.385	COC(=O)c1ccc(cc1)[P](O)(=O)OCCO

Name:

2-hydroxyethyloxy-(4-methoxycarbonylphenyl)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).