BioLiP

PDB

BioLiP

PDB CCD ID:

RTK

Number of entries in BioLiP:

Chemical formula:

C6 H17 N O2 P

InChI:

InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1

InChIKey:

WOSBPQBJRYGKCZ-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[N+](C)(C)CCCP(=O)O
CACTVS 3.385	C[N+](C)(C)CCC[PH](O)=O
ACDLabs 12.01	O=P(O)CCC[N+](C)(C)C

Name:

trimethyl(3-oxidanylphosphonoylpropyl)azanium

ZINC:

ZINC000098209378

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).