BioLiP

PDB

BioLiP

PDB CCD ID:

KZH

Number of entries in BioLiP:

Chemical formula:

C18 H28 O3

InChI:

InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+

InChIKey:

BNMYUQILBYIYOG-GLVBUJDASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC\C=C/CC(=O)\C=C\C=C\CCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6	CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O
CACTVS 3.385	CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O

Name:

(13-oxo-9(Z),11(E),15(Z)-octadecatrienoic 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).