BioLiP

PDB

BioLiP

PDB CCD ID:

LNL

Number of entries in BioLiP:

Chemical formula:

C18 H30 O2

InChI:

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

InChIKey:

DTOSIQBPPRVQHS-PDBXOOCHSA-N

SMILES:

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

Name:

ALPHA-LINOLENIC ACID

ChEMBL:

CHEMBL8739

DrugBank:

DB00132

ZINC:

ZINC000003802189

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).