2-oleoylglycerol (PAMDB120570)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120570
Identification
Name: 2-oleoylglycerol
Description:A 2-monoglyceride where the acyl group is (9Z)-octadecenoyl.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1,3-dihydroxypropan-2-yl oleate
  • 2-(9Z-octadecenoyl)-glycerol
  • 2-(9Z-octadecenoyl)-glycerol
  • 2-glyceryl monooleate
  • 2-mono-C18:1
  • 2-monoolein
  • 2-monooleoylglycerol
  • 2-oleoyl-glycerol
  • MG(0:0/18:1(9Z)/0:0)
  • UNII-9A2389K694
Chemical Formula: C21H40O4
Average Molecular Weight: 356.545
Monoisotopic Molecular Weight: 356.29266
InChI Key: UPWGQKDVAURUGE-KTKRTIGZSA-N
InChI:InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
CAS number: Not Available
IUPAC Name:1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate
Traditional IUPAC Name: 2-oleoylglycerol
SMILES:CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of chemical entities known as 2-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 2-position.
Kingdom Chemical entities
Super ClassOrganic compounds
Class Lipids and lipid-like molecules
Sub ClassGlycerolipids
Direct Parent 2-monoacylglycerols
Alternative Parents
Substituents
  • 2-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0017 mg/mLALOGPS
logP6.25ALOGPS
logP5.61ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)14.28ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 Å2ChemAxon
Rotatable Bond Count19ChemAxon
Refractivity104.43 m3·mol-1ChemAxon
Polarizability44.89 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
2-oleoylglycerol + CTP → 1-oleyl-2-lyso-phosphatidate + CDP + Hydrogen ion
Pathways:
    Spectra
    Spectra:
    Spectrum TypeDescriptionSplash Key
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    METABOLIGHTSMTBLC73990
    HMDBHMDB11537
    LIPID_MAPSLMGL01010024
    CHEBI73990
    PUBCHEM44237286