BioLiP

PDB

BioLiP

PDB CCD ID:

D22

Number of entries in BioLiP:

Chemical formula:

C16 H35 N

InChI:

InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3

InChIKey:

LAWOZCWGWDVVSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCNCCCCCCCC
ACDLabs 10.04	N(CCCCCCCC)CCCCCCCC

Name:

N-octyloctan-1-amine;
Dioctylamine

ZINC:

ZINC000058632898

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).