BioLiP

PDB

BioLiP

PDB CCD ID:

ERU

Number of entries in BioLiP:

Chemical formula:

C22 H43 N O

InChI:

InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-

InChIKey:

UAUDZVJPLUQNMU-KTKRTIGZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCC=CCCCCCCCCCCCC(N)=O
CACTVS 3.341	CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCC=CCCCCCCCCCCCC(=O)N
OpenEye OEToolkits 1.5.0	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N
ACDLabs 10.04	O=C(N)CCCCCCCCCCC\C=C/CCCCCCCC

Name:

(13Z)-docos-13-enamide;
Erucamide;
erucylamide

ChEMBL:

CHEMBL1232565

ZINC:

ZINC000014232715

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).