BioLiP

PDB

BioLiP

PDB CCD ID:

ELA

Number of entries in BioLiP:

Chemical formula:

C18 H34 O2

InChI:

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

InChIKey:

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

SMILES:

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

Name:

9-OCTADECENOIC ACID

ChEMBL:

CHEMBL460657

DrugBank:

DB04224

ZINC:

ZINC000008217338

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).