DG(10:0/10:0/0:0) (PAMDB003631)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB003631
Identification
Name: DG(10:0/10:0/0:0)
Description:DG(10:0/10:0/0:0) 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(10:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • (2-decanoyloxy-3-hydroxypropyl) decanoate
  • (2-Decanoyloxy-3-hydroxypropyl) decanoic acid
  • 1,2-dicaprin
  • 1,2-didecanoyl-rac-glycerol
  • 1,2-didecanoyl-rac-glycerol
  • 3-Hydroxypropane-1,2-diyl didecanoate
  • 3-Hydroxypropane-1,2-diyl didecanoic acid
  • DAG(10:0/10:0)
  • DAG(20:0)
  • DG(10:0/10:0)
  • DG(20:0)
  • Diacylglycerol
  • Diacylglycerol(10:0/10:0)
  • Diacylglycerol(20:0)
  • Diglyceride
Chemical Formula: C23H44O5
Average Molecular Weight: 400.6
Monoisotopic Molecular Weight: 400.318874517
InChI Key: BPYWNJQNVNYQSQ-UHFFFAOYSA-N
InChI:InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3
CAS number: Not Available
IUPAC Name:3-(decanoyloxy)-2-hydroxypropyl decanoate
Traditional IUPAC Name: 3-(decanoyloxy)-2-hydroxypropyl decanoate
SMILES:[H]C(O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
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 acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.000621 mg/mLALOGPS
logP6.7ALOGPS
logP6.67ChemAxon
logS-5.8ALOGPS
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 Count22ChemAxon
Refractivity112.49 m3·mol-1ChemAxon
Polarizability50.42 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(10:0/10:0/0:0) + Hydrogen ion + Cytidine triphosphate > CDP-DG(10:0/10:0) + Pyrophosphate
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 ID104665
Kegg IDNot Available
ChemSpider ID94487
Wikipedia IDNot Available
BioCyc IDNot Available