BioLiP

PDB

BioLiP

PDB CCD ID:

LAX

Number of entries in BioLiP:

Chemical formula:

C20 H34 O2

InChI:

InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-

InChIKey:

HOBAELRKJCKHQD-QNEBEIHSSA-N

SMILES:

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

Name:

EICOSA-8,11,14-TRIENOIC ACID;
DIHOMO-GAMMA-LINOLENIC ACID

ChEMBL:

CHEMBL465183

DrugBank:

DB00154

ZINC:

ZINC000004521470

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).