BioLiP

PDB

BioLiP

PDB CCD ID:

LAP

Number of entries in BioLiP:

Chemical formula:

C20 H43 N O7 P

InChI:

InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1

InChIKey:

BWKILASWCLJPBO-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC

Name:

[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM;
L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL

DrugBank:

DB01707

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).