1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 1-acyl-sn-glycero-3-phosphoethanolamines. These are glycerophoethanolamines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphoethanolamine.

1-acyl-sn-glycero-3-phosphoethanolamines

Organic compounds

Lipids and lipid-like molecules

Glycerophospholipids

Glycerophosphoethanolamines

Calculated Property

kind Value Source
logP -1.8 ALOGPS
logS -1.2 ALOGPS
Water Solubility 1.67e+01 g/l ALOGPS
logP -3 ChemAxon
IUPAC Name [(2S)-3-(acetyloxy)-2-hydroxypropoxy](2-azaniumylethoxy)phosphinic acid ChemAxon
Traditional IUPAC Name (2S)-3-(acetyloxy)-2-hydroxypropoxy(2-ammonioethoxy)phosphinic acid ChemAxon
Molecular Weight 258.1861 ChemAxon
Monoisotopic Weight 258.074263415 ChemAxon
SMILES CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+] ChemAxon
Molecular Formula C7H17NO7P ChemAxon
InChI InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1 ChemAxon
InChIKey InChIKey=CWRILEGKIAOYKP-ZETCQYMHSA-O ChemAxon
Polar Surface Area (PSA) 129.93 ChemAxon
Refractivity 64.27 ChemAxon
Polarizability 23.64 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.87 ChemAxon
pKa (strongest basic) 10 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Lantibiotic cinnamycin : in Streptoverticillium griseoverticillatum