BioLiP

PDB

BioLiP

PDB CCD ID:

9F5

Number of entries in BioLiP:

Chemical formula:

C14 H12 O4

InChI:

InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)/t13-/m0/s1

InChIKey:

FPUCYPXKIFVDSD-ZDUSSCGKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](C(O)=O)c1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 2.0.6	c1ccc(cc1)Oc2cccc(c2)C(C(=O)O)O
CACTVS 3.385	O[CH](C(O)=O)c1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 2.0.6	c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O

Name:

(2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid;
3-Phenoxymandelic acid

ZINC:

ZINC000002511048

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).