BioLiP

PDB

BioLiP

PDB CCD ID:

E7Y

Number of entries in BioLiP:

Chemical formula:

C22 H37 N O2

InChI:

InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

InChIKey:

LGEQQWMQCRIYKG-DOFZRALJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
CACTVS 3.385	CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)NCCO
ACDLabs 12.01	C(=O)(NCCO)CCC[C@H]=CC\C=C/C[C@H]=CC[C@H]=CCCCCC
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO

Name:

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;
N-arachidonoylethanolamine

ChEMBL:

CHEMBL15848

ZINC:

ZINC000003809850

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).