Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB006936
Identification
Name: DG(19:0cycv8c/14:0/0:0)
Description:DG(19:0cycv8c/14:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(19:0cycv8c/14:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C36H68O5
Average Molecular Weight: 580.935
Monoisotopic Molecular Weight: 580.50667529
InChI Key: ZXRZMQUAZZFQNI-NGYOKKRJSA-N
InChI:InChI=1S/C36H68O5/c1-3-5-7-9-10-11-12-13-16-19-23-27-35(38)40-30-34(37)31-41-36(39)28-24-20-17-14-15-18-22-26-33-29-32(33)25-21-8-6-4-2/h32-34,37H,3-31H2,1-2H3/t32?,33?,34-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-hydroxypropyl tetradecanoate
Traditional IUPAC Name: (2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-hydroxypropyl tetradecanoate
SMILES:[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCC1CC1CCCCCC
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Glycerolipids
Sub ClassDiradylglycerols
Direct Parent 1,3-diacylglycerols
Alternative Parents
Substituents
  • 1,3-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • Dicarboxylic acid or derivatives
  • Secondary alcohol
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic homomonocyclic compound
Molecular Framework Aliphatic homomonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility1.89e-05 mg/mLALOGPS
logP9.97ALOGPS
logP11.67ChemAxon
logS-7.5ALOGPS
pKa (Strongest Acidic)13.63ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area72.83 Å2ChemAxon
Rotatable Bond Count33ChemAxon
Refractivity170.39 m3·mol-1ChemAxon
Polarizability76.17 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
Pathways: Not Available
Spectra
Spectra:
References
References:
  • Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available