DG(19:0cycv8c/16:1(9Z)/0:0) (PAMDB006939)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006939
Identification
Name: DG(19:0cycv8c/16:1(9Z)/0:0)
Description:DG(19:0cycv8c/16:1(9Z)/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/16:1(9Z)/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: C38H70O5
Average Molecular Weight: 606.973
Monoisotopic Molecular Weight: 606.522325354
InChI Key: XUWXUPHUKGCWTH-HLULIINISA-N
InChI:InChI=1S/C38H70O5/c1-3-5-7-9-10-11-12-13-14-15-18-21-25-29-37(40)42-32-36(39)33-43-38(41)30-26-22-19-16-17-20-24-28-35-31-34(35)27-23-8-6-4-2/h11-12,34-36,39H,3-10,13-33H2,1-2H3/b12-11-/t34?,35?,36-/m1/s1
CAS number: Not Available
IUPAC Name:(2S)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-hydroxypropyl (9Z)-hexadec-9-enoate
Traditional IUPAC Name: (2S)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-hydroxypropyl (9Z)-hexadec-9-enoate
SMILES:[H][C@](O)(COC(=O)CCCCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCC
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 Solubility1.4e-05 mg/mLALOGPS
logP10.15ALOGPS
logP12.2ChemAxon
logS-7.6ALOGPS
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
Refractivity180.71 m3·mol-1ChemAxon
Polarizability78.99 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(19:0cycv8c/16:1(9Z)/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(19:0cycv8c/16:1(9Z)) + 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