BioLiP

PDB

BioLiP

PDB CCD ID:

RXK

Number of entries in BioLiP:

Chemical formula:

C7 H12 O2

InChI:

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

InChIKey:

NZNMSOFKMUBTKW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C1CCCCC1
OpenEye OEToolkits 2.0.7	C1CCC(CC1)C(=O)O

Name:

cyclohexanecarboxylic acid

ZINC:

ZINC000012358763

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).