BioLiP

PDB

BioLiP

PDB CCD ID:

449

Number of entries in BioLiP:

Chemical formula:

C8 H16 N O2

InChI:

InChI=1S/C8H15NO2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3/p+1

InChIKey:

ZUZDUOOCVXTRAU-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	C[N+]1(C)CCC(CC1)C(O)=O
OpenEye OEToolkits 1.7.6	C[N+]1(CCC(CC1)C(=O)O)C
ACDLabs 12.01	O=C(O)C1CC[N+](C)(C)CC1

Name:

4-carboxy-1,1-dimethylpiperidin-1-ium

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).