BioLiP

PDB

BioLiP

PDB CCD ID:

OCX

Number of entries in BioLiP:

Chemical formula:

C20 H30 O3

InChI:

InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?

InChIKey:

ULAXHDZCBOQYGV-IXYQYOLGSA-N

SMILES:

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

Name:

(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid;
8-oxo-eicosatetraenoic 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).