BioLiP

PDB

BioLiP

PDB CCD ID:

KTC

Number of entries in BioLiP:

Chemical formula:

C18 H34 O3

InChI:

InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)

InChIKey:

BGKROBBCCGUUCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCC(=O)CCCCCCCCC(=O)O
CACTVS 3.385	CCCCCCCCC(=O)CCCCCCCCC(O)=O
ACDLabs 12.01	O=C(O)CCCCCCCCC(=O)CCCCCCCC

Name:

10-oxooctadecanoic acid

ChEMBL:

CHEMBL1994343

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).