BioLiP

PDB

BioLiP

PDB CCD ID:

DR8

Number of entries in BioLiP:

Chemical formula:

C10 H12 N

InChI:

InChI=1S/C10H12N/c1-5-6-7-8-9-10-11(2,3)4/h1-4H3/q+1

InChIKey:

AKYJILYZPCHMQA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	C(C#CC#C[N+](C)(C)C)#CC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC#CC#CC#C[N+](C)(C)C

Name:

N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-AMINIUM

ZINC:

ZINC000038792034

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).