BioLiP

PDB

BioLiP

PDB CCD ID:

A1ACX

Number of entries in BioLiP:

Chemical formula:

C24 H51 N O6 P

InChI:

InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(26)29-21-18-22-30-32(27,28)31-23-20-25(2,3)4/h5-23H2,1-4H3/p+1

InChIKey:

RADDWOTUVGBPAO-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 12.01	C[N+](C)(C)CCOP(O)(=O)OCCCOC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OCC[N+](C)(C)C

Name:

3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate

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).