BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0N

Number of entries in BioLiP:

Chemical formula:

C9 H11 O6 P

InChI:

InChI=1S/C9H11O6P/c10-5-6-15-16(13,14)8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)(H,13,14)

InChIKey:

PTVSEGAIJIELFJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCO[P](O)(=O)c1ccc(cc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=O)O)P(=O)(O)OCCO

Name:

4-[2-hydroxyethyloxy(oxidanyl)phosphoryl]benzoic 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).