BioLiP

PDB

BioLiP

PDB CCD ID:

NWB

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O

InChI:

InChI=1/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1

InChIKey:

UKCYTFTWLWVZSO-UHFFFAOYAD

SMILES:

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

Name:

N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM

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).