DG(19:1(9Z)/18:0/0:0) (PAMDB003709)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB003709
Identification
Name: DG(19:1(9Z)/18:0/0:0)
Description:DG(19:1(9Z)/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(19:1(9Z)/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-(9Z-nonadecenoyl)-2-octadecanoyl-sn-glycerol
  • 1-9Z-nonadecenoyl-2-stearoyl-sn-glycerol
  • DAG(19:1/18:0)
  • DAG(37:1)
  • DG(19:1/18:0)
  • DG(37:1)
  • Diacylglycerol
  • Diacylglycerol(19:1/18:0)
  • Diacylglycerol(37:1)
  • Diglyceride
Chemical Formula: C40H76O5
Average Molecular Weight: 637.043
Monoisotopic Molecular Weight: 636.569275547
InChI Key: ZTROJKWDCWHAON-IOSXAPFHSA-N
InChI:InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,38,41H,3-18,20,22-37H2,1-2H3/b21-19-/t38-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z)-nonadec-9-enoate
Traditional IUPAC Name: (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z)-nonadec-9-enoate
SMILES:[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/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 Solubility1.63e-05 mg/mLALOGPS
logP10.46ALOGPS
logP13.86ChemAxon
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 Count38ChemAxon
Refractivity191.82 m3·mol-1ChemAxon
Polarizability85.11 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
DG(19:1(9Z)/18:0/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(19:1(9Z)/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