BioLiP

PDB

BioLiP

PDB CCD ID:

KVV

Number of entries in BioLiP:

Chemical formula:

C5 H15 N O3 P

InChI:

InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

InChIKey:

VCANKBLUHKRQLL-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 12.01	C([N+](C)(C)C)CP(O)(O)=O
OpenEye OEToolkits 2.0.6	C[N+](C)(C)CCP(=O)(O)O
CACTVS 3.385	C[N+](C)(C)CC[P](O)(O)=O

Name:

N,N,N-trimethyl-2-phosphonoethan-1-aminium

ZINC:

ZINC000001530430

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).