BioLiP

PDB

BioLiP

PDB CCD ID:

0PA

Number of entries in BioLiP:

Chemical formula:

C7 H12 O2

InChI:

InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)

InChIKey:

YVHAIVPPUIZFBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(C1)CC(=O)O
CACTVS 3.341	OC(=O)CC1CCCC1
ACDLabs 10.04	O=C(O)CC1CCCC1

Name:

cyclopentylacetic acid

ZINC:

ZINC000000388161

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).