BioLiP

PDB

BioLiP

PDB CCD ID:

MW7

Number of entries in BioLiP:

Chemical formula:

C9 H8 O2

InChI:

InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)

InChIKey:

IRQWEODKXLDORP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C=Cc1ccc(cc1)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(C=C)cc1
ACDLabs 12.01	C=[C@H]c1ccc(cc1)C(O)=O

Name:

4-ethenylbenzoic acid

ZINC:

ZINC000000162323

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).