Molecule

(2-{[(2R)-2-hydroxy-3-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

AlkaPlorer ID: AK318795

Synonym: None

IUPAC Name: [(2R)-2-hydroxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Structure

SMILES: CCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

InChI: InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/t22-/m1/s1

InChIKey: RJZVWDTYEWCUAR-JOCHJYFZSA-N

Reference

PubChem CID: 24779458

SuperNatural Ⅲ: SN0327509-01

NPASS: NPC170963

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rattus norvegicus	Rattus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 481.6110000000002

TPSA？: 105.12000000000002

MolLogP？: 4.189500000000002

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Autotaxin	Activity	36.0	%	10.1016/j.bmc.2009.03.030
Homo sapiens	Autotaxin	Activity	72.0	%	10.1016/j.bmc.2009.03.030
Homo sapiens	Autotaxin	Activity	80.0	%	10.1016/j.bmc.2009.03.030