DG(10:0/18:0/0:0) (PAMDB003637)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB003637
Identification
Name: DG(10:0/18:0/0:0)
Description:DG(10:0/18:0/0:0) 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(10:0/18:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1-decanoyl-2-octadecanoyl-sn-glycerol
  • 1-decanoyl-2-stearoyl-sn-glycerol
  • DAG(10:0/18:0)
  • DAG(28:0)
  • DG(10:0/18:0)
  • DG(28:0)
  • Diacylglycerol
  • Diacylglycerol(10:0/18:0)
  • Diacylglycerol(28:0)
  • Diglyceride
Chemical Formula: C31H60O5
Average Molecular Weight: 512.816
Monoisotopic Molecular Weight: 512.444075032
InChI Key: SNTBWBRHDLOYGC-LJAQVGFWSA-N
InChI:InChI=1S/C31H60O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(34)36-28-29(32)27-35-30(33)25-23-21-19-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-3-(decanoyloxy)-2-hydroxypropyl octadecanoate
Traditional IUPAC Name: (2S)-3-(decanoyloxy)-2-hydroxypropyl octadecanoate
SMILES:[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
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 Solubility2.71e-05 mg/mLALOGPS
logP9.24ALOGPS
logP10.22ChemAxon
logS-7.3ALOGPS
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 Count30ChemAxon
Refractivity149.29 m3·mol-1ChemAxon
Polarizability67.47 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(10:0/18:0/0:0) + Hydrogen ion + Cytidine triphosphate > CDP-DG(10:0/18:0) + 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 IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available