DG(19:0cycw8c/10:0/0:0) (PAMDB006943)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006943
Identification
Name: DG(19:0cycw8c/10:0/0:0)
Description:DG(19:0cycw8c/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(19:0cycw8c/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C32H60O5
Average Molecular Weight: 524.827
Monoisotopic Molecular Weight: 524.444075032
InChI Key: BEVUAYDOUNCODZ-QGVFFIPKSA-N
InChI:InChI=1S/C32H60O5/c1-3-5-7-9-10-15-19-23-31(34)36-26-30(33)27-37-32(35)24-20-16-12-11-14-18-22-29-25-28(29)21-17-13-8-6-4-2/h28-30,33H,3-27H2,1-2H3/t28?,29?,30-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-3-{[9-(2-heptylcyclopropyl)nonanoyl]oxy}-2-hydroxypropyl decanoate
Traditional IUPAC Name: (2R)-3-{[9-(2-heptylcyclopropyl)nonanoyl]oxy}-2-hydroxypropyl decanoate
SMILES:[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC1CC1CCCCCCC
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
  • Carbocyclic fatty acid
  • Fatty acid ester
  • Hydroxy fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organooxygen compound
  • 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 Solubility2.85e-05 mg/mLALOGPS
logP9.26ALOGPS
logP9.89ChemAxon
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 Count29ChemAxon
Refractivity151.99 m3·mol-1ChemAxon
Polarizability68.22 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(19:0cycw8c/10:0/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(19:0cycw8c/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 IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available