BioLiP

PDB

BioLiP

PDB CCD ID:

HXA

Number of entries in BioLiP:

Chemical formula:

C22 H32 O2

InChI:

InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

InChIKey:

MBMBGCFOFBJSGT-KUBAVDMBSA-N

SMILES:

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

Name:

DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID

ChEMBL:

CHEMBL367149

DrugBank:

DB03756

ZINC:

ZINC000004474564

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).