DG(19:0cycv8c/17:0cycw7c/0:0) (PAMDB006940)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006940
Identification
Name: DG(19:0cycv8c/17:0cycw7c/0:0)
Description:DG(19:0cycv8c/17:0cycw7c/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/17:0cycw7c/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: C39H72O5
Average Molecular Weight: 621
Monoisotopic Molecular Weight: 620.537975418
InChI Key: VYTCBFQZAVIDCT-MPRLHPDLSA-N
InChI:InChI=1S/C39H72O5/c1-3-5-7-17-23-33-29-35(33)25-19-13-10-9-11-15-21-27-38(41)43-31-37(40)32-44-39(42)28-22-16-12-14-20-26-36-30-34(36)24-18-8-6-4-2/h33-37,40H,3-32H2,1-2H3/t33?,34?,35?,36?,37-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 10-(2-hexylcyclopropyl)decanoate
Traditional IUPAC Name: (2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 10-(2-hexylcyclopropyl)decanoate
SMILES:[H][C@](O)(COC(=O)CCCCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCC1CC1CCCCCC
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 Solubility9.21e-06 mg/mLALOGPS
logP9.87ALOGPS
logP12.22ChemAxon
logS-7.8ALOGPS
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 Count34ChemAxon
Refractivity182.29 m3·mol-1ChemAxon
Polarizability80.69 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(19:0cycv8c/17:0cycw7c/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(19:0cycv8c/17:0cycw7c) + 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