1-oleoyl-2-lyso-glycerone phosphate (PAMDB120449)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120449
Identification
Name: 1-oleoyl-2-lyso-glycerone phosphate
Description:A 1-acylglycerone 3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1-oleoylglycerone 3-phosphate; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1-(9Z)-octadecenoyl-DHAP(2−)
  • 1-(9Z)-octadecenoylglycerone 3-phosphate
  • 1-(9Z)-octadecenoylglycerone 3-phosphate(2−)
Chemical Formula: C21H37O7P
Average Molecular Weight: 432.493
Monoisotopic Molecular Weight: 434.24335
InChI Key: YZKFNNQAEBNCEN-KTKRTIGZSA-L
InChI:InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10H,2-8,11-19H2,1H3,(H2,24,25,26)/p-2/b10-9-
CAS number: Not Available
IUPAC Name:3-[(9Z)-octadec-9-enoyloxy]-2-oxopropyl phosphate
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as o-acylglycerone-phosphates. These are glycerone-3-phosphates carrying an acyl substituent at the 1-position.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbonyl compounds
Direct Parent O-acylglycerone-phosphates
Alternative Parents
Substituents
  • O-acylglycerone-phosphate
  • Monosaccharide phosphate
  • Fatty acid ester
  • Alpha-acyloxy ketone
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Fatty acyl
  • Alkyl phosphate
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic oxide
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass432.4872ChemAxon
logP6.1219ChemAxon
H-bond acceptors7ChemAxon
H-bond donors0ChemAxon
Rotatable bonds21ChemAxon
PSA125.6000ChemAxon
RO5 violations1ChemAxon
RO3 violations5ChemAxon
Refractivity113.0795ChemAxon
Atoms66ChemAxon
Rings0ChemAxon
Heavy atoms29ChemAxon
Hydrogen atoms37ChemAxon
Heteroatoms8ChemAxon
N/O atoms7ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds1ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds1ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
1-oleoyl-2-lyso-glycerone phosphate + NADPH + Hydrogen ion → 1-oleyl-2-lyso-phosphatidate + NADP+
glycerone phosphate + oleoyl-CoA → 1-oleoyl-2-lyso-glycerone phosphate + coenzyme A
Pathways:
  • superpathway phosphatidate biosynthesis (yeast)PWY-7411
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI77492