BioLiP

PDB

BioLiP

PDB CCD ID:

11Z

Number of entries in BioLiP:

Chemical formula:

C17 H32 O2

InChI:

InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)

InChIKey:

WFTPSUGFEZHCGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CCCCCCCCCCC1CCCCC1
CACTVS 3.385	OC(=O)CCCCCCCCCCC1CCCCC1
OpenEye OEToolkits 1.7.6	C1CCC(CC1)CCCCCCCCCCC(=O)O

Name:

11-cyclohexylundecanoic 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).