BioLiP

PDB

BioLiP

PDB CCD ID:

OPH

Number of entries in BioLiP:

Chemical formula:

C10 H12 O3

InChI:

InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1

InChIKey:

NMPPJJIBQQCOOI-VIFPVBQESA-N

SMILES:

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

Name:

2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER

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).