BioLiP

PDB

BioLiP

PDB CCD ID:

OCR

Number of entries in BioLiP:

Chemical formula:

C20 H30 O3

InChI:

InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+

InChIKey:

YGJTUEISKATQSM-KIFLIQHDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O
CACTVS 3.341	CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0	CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O
ACDLabs 10.04	O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
CACTVS 3.341	CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O

Name:

(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid;
15-oxo-eicosatetraenoic acid

ZINC:

ZINC000039031959

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).