BioLiP

PDB

BioLiP

PDB CCD ID:

NOO

Number of entries in BioLiP:

Chemical formula:

C14 H23 N O2

InChI:

InChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17)

InChIKey:

USNFUKCPLYEHLS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1C=C(NC(=O)CCCCCCC)CCC1
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CCCCCCCC(=O)NC1=CC(=O)CCC1

Name:

N-(3-oxocyclohex-1-en-1-yl)octanamide

ZINC:

ZINC000066157186

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).