BioLiP

PDB

BioLiP

PDB CCD ID:

EJL

Number of entries in BioLiP:

Chemical formula:

C24 H32 O3

InChI:

InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-

InChIKey:

LHUWCJHCWHNRNX-JLNKQSITSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O
CACTVS 3.385	CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7	CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O

Name:

(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic 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).