BioLiP

PDB

BioLiP

PDB CCD ID:

BEQ

Number of entries in BioLiP:

Chemical formula:

C19 H38 N2 O3

InChI:

InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)

InChIKey:

MRUAUOIMASANKQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
ACDLabs 10.04	[O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]

Name:

N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT;
N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE;
COCOAMIDOPROPYLBETAINE

ChEMBL:

CHEMBL1231297

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).