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Identification
YMDB IDYMDB13404
NameMG(27:0/0:0/0:0)
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionMG(27:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(27:0/0:0/0:0) is made up of one heptacosanoyl(R1).
Structure
Thumb
SynonymsNot Available
CAS numberNot Available
WeightAverage: 484.806
Monoisotopic: 484.449160412
InChI KeyUBPHNKCXZWAOFK-GDLZYMKVSA-N
InChIInChI=1S/C30H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(33)34-28-29(32)27-31/h29,31-32H,2-28H2,1H3/t29-/m1/s1
IUPAC Name(2R)-2,3-dihydroxypropyl heptacosanoate
Traditional IUPAC Name(2R)-2,3-dihydroxypropyl heptacosanoate
Chemical FormulaC30H60O4
SMILES[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
Chemical Taxonomy
Description belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassMonoradylglycerols
Direct Parent1-monoacylglycerols
Alternative Parents
Substituents
  • 1-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • 1,2-diol
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility3.8e-05 g/LALOGPS
logP9.59ALOGPS
logP9.97ChemAxon
logS-7.1ALOGPS
pKa (Strongest Acidic)13.62ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 ŲChemAxon
Rotatable Bond Count29ChemAxon
Refractivity144.72 m³·mol⁻¹ChemAxon
Polarizability65.93 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations
  • Cytoplasm
  • Endoplasmic reticulum
Organoleptic PropertiesNot Available
SMPDB Pathways
Triacylglycerol metabolism TG(10:0/10:0/27:0)PW007740 ThumbThumb?image type=greyscaleThumb?image type=simple
Triacylglycerol metabolism TG(10:0/12:0/27:0)PW007760 ThumbThumb?image type=greyscaleThumb?image type=simple
Triacylglycerol metabolism TG(10:0/14:0/27:0)PW007784 ThumbThumb?image type=greyscaleThumb?image type=simple
Triacylglycerol metabolism TG(10:0/15:0/27:0)PW007795 ThumbThumb?image type=greyscaleThumb?image type=simple
Triacylglycerol metabolism TG(10:0/16:0/27:0)PW007813 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG PathwaysNot Available
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001m-9000300000-cc02ebb56f8079e0bbc3JSpectraViewer
References
References:
  • Rattray JB, Schibeci A, Kidby DK. (1975). "Lipids of yeasts." Bacteriol Rev. 1975 Sep;39(3):197-231.240350
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
FOODB IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available