BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0O

Number of entries in BioLiP:

Chemical formula:

C16 H17 O6 P

InChI:

InChI=1S/C16H17O6P/c17-16(18)14-6-8-15(9-7-14)23(19,20)22-11-10-21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18)(H,19,20)

InChIKey:

YNAKBZQLAJKZSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COCCOP(=O)(c2ccc(cc2)C(=O)O)O

Name:

4-[oxidanyl(2-phenylmethoxyethoxy)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).