BioLiP

PDB

BioLiP

PDB CCD ID:

DUW

Number of entries in BioLiP:

Chemical formula:

C10 H10 O3

InChI:

InChI=1S/C10H10O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,12,13)/t9-/m1/s1

InChIKey:

NAYOGLQOGCMXAU-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C[C@H](C=O)C(=O)O
CACTVS 3.385	OC(=O)[C@H](Cc1ccccc1)C=O
CACTVS 3.385	OC(=O)[CH](Cc1ccccc1)C=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC(C=O)C(=O)O

Name:

(2R)-2-methanoyl-3-phenyl-propanoic 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).