BioLiP

PDB

BioLiP

PDB CCD ID:

HFA

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3

InChI:

InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1

InChIKey:

VOXXWSYKYCBWHO-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(C(=O)O)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@@H](C(=O)O)O
ACDLabs 10.04	O=C(O)C(O)Cc1ccccc1
CACTVS 3.341	O[C@@H](Cc1ccccc1)C(O)=O
CACTVS 3.341	O[CH](Cc1ccccc1)C(O)=O

Name:

ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID

DrugBank:

DB02494

ZINC:

ZINC000000388089

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).