BioLiP

PDB

BioLiP

PDB CCD ID:

LVK

Number of entries in BioLiP:

Chemical formula:

C10 H10 O3

InChI:

InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)

InChIKey:

MQZBJHMHKZVYHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(=O)c1ccc(cc1)C(O)=O
ACDLabs 12.01	OC(=O)c1ccc(cc1)C(=O)CC
OpenEye OEToolkits 2.0.7	CCC(=O)c1ccc(cc1)C(=O)O

Name:

4-propanoylbenzoic 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).