BioLiP

PDB

BioLiP

PDB CCD ID:

DPW

Number of entries in BioLiP:

Chemical formula:

C15 H34 N O4 P

InChI:

InChI=1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3

InChIKey:

VVVDGSCGBGBGFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0	CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0	CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C
ACDLabs 10.04	[O-]P(=O)(OCCCCCCCCCC)OCC[N+](C)(C)C

Name:

decyl 2-trimethylazaniumylethyl phosphate

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).