BioLiP

PDB

BioLiP

PDB CCD ID:

5YM

Number of entries in BioLiP:

Chemical formula:

C20 H39 N O2

InChI:

InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-

InChIKey:

BOWVQLFMWHZBEF-KTKRTIGZSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCCC=CCCCCCCCC(=O)NCCO
CACTVS 3.385	CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
OpenEye OEToolkits 2.0.7	CCCCCCCC/C=C\CCCCCCCC(=O)NCCO

Name:

(Z)-N-(2-hydroxyethyl)octadec-9-enamide

ChEMBL:

CHEMBL280065

DrugBank:

DB16495

ZINC:

ZINC000008034993

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).