BioLiP

PDB

BioLiP

PDB CCD ID:

A1LXX

Number of entries in BioLiP:

Chemical formula:

C18 H38 N O2

InChI:

InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3/p+1

InChIKey:

ZFVNBVQBIZJUEY-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCC[N+](C)(C)CCCC(=O)O

Name:

4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid

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).