BioLiP

PDB

BioLiP

PDB CCD ID:

NM2

Number of entries in BioLiP:

Chemical formula:

C7 H16 N O2

InChI:

InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1

InChIKey:

JHPNVNIEXXLNTR-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.352	C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1	C[N+](C)(C)CCCC(=O)O
ACDLabs 10.04	O=C(O)CCC[N+](C)(C)C

Name:

3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM

ZINC:

ZINC000000395560

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).