BioLiP

PDB

BioLiP

PDB CCD ID:

KJ1

Number of entries in BioLiP:

Chemical formula:

C17 H34 N2 O2

InChI:

InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21)

InChIKey:

SKOHWEXHBDBESR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCC(=O)NCCCCCCCC(=O)N
CACTVS 3.385	CCCCCCCCC(=O)NCCCCCCCC(N)=O
ACDLabs 12.01	C(CNC(CCCCCCCC)=O)CCCCCC(=O)N

Name:

N-(8-amino-8-oxooctyl)nonanamide

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).