Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB003681
Identification
Name: DG(16:1(9Z)/16:1(9Z)/0:0)
Description:DG(16:1(9Z)/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(16:1(9Z)/16:1(9Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
Synonyms:
  • 1,2-di(9Z-hexadecenoyl)-rac-glycerol
  • 1,2-di-(9Z-hexadecenoyl)-sn-glycerol
  • 1,2-dipalmitoleoyl-rac-glycerol
  • DAG(16:1/16:1)
  • DAG(16:1n7/16:1n7)
  • DAG(16:1w7/16:1w7)
  • DAG(32:2)
  • DG(16:1/16:1)
  • DG(16:1n7/16:1n7)
  • DG(16:1w7/16:1w7)
  • DG(32:2)
  • Diacylglycerol
  • Diacylglycerol(16:1/16:1)
  • Diacylglycerol(16:1n7/16:1n7)
  • Diacylglycerol(16:1w7/16:1w7)
  • Diacylglycerol(32:2)
  • Diglyceride
Chemical Formula: C35H64O5
Average Molecular Weight: 564.892
Monoisotopic Molecular Weight: 564.475375161
InChI Key: UUCZIVACHUFMPO-VMNXYWKNSA-N
InChI:InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13-,16-14-
CAS number: Not Available
IUPAC Name:3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropyl (9Z)-hexadec-9-enoate
Traditional IUPAC Name: 3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropyl (9Z)-hexadec-9-enoate
SMILES:[H]C(O)(COC(=O)CCCCCCC\C=C/CCCCCC)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 acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility1.56e-05 mg/mLALOGPS
logP9.67ALOGPS
logP11.28ChemAxon
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 Count32ChemAxon
Refractivity169.93 m3·mol-1ChemAxon
Polarizability72.86 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
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 ID75849
HMDB IDHMDB05221
Pubchem Compound ID45934047
Kegg IDNot Available
ChemSpider ID26323974
Wikipedia IDNot Available
BioCyc IDNot Available