BioLiP

PDB

BioLiP

PDB CCD ID:

SCU

Number of entries in BioLiP:

Chemical formula:

C9 H18 N O3

InChI:

InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1

InChIKey:

RIRQNBQBGSVENV-UHFFFAOYSA-N

SMILES:

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

Name:

N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM;
SUCCINYLMONOCHOLINE

ZINC:

ZINC000038788902

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).