DG(10:0(3-OH)/16:1(9Z)/0:0) (PAMDB006861)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB006861
Identification
Name: DG(10:0(3-OH)/16:1(9Z)/0:0)
Description:DG(10:0(3-OH)/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(10:0(3-OH)/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: C29H54O6
Average Molecular Weight: 498.745
Monoisotopic Molecular Weight: 498.392039459
InChI Key: VEUPRCKEIPEJQQ-RRSIKFODSA-N
InChI:InChI=1S/C29H54O6/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-28(32)34-24-27(31)25-35-29(33)23-26(30)21-19-17-8-6-4-2/h11-12,26-27,30-31H,3-10,13-25H2,1-2H3/b12-11-/t26?,27-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-2-hydroxy-3-[(3-hydroxydecanoyl)oxy]propyl (9Z)-hexadec-9-enoate
Traditional IUPAC Name: (2R)-2-hydroxy-3-[(3-hydroxydecanoyl)oxy]propyl (9Z)-hexadec-9-enoate
SMILES:[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COC(=O)CC(O)CCCCCCC
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 alcohol
  • Beta-hydroxy acid
  • Fatty acid ester
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Hydroxy acid
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • Organooxygen compound
  • 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 Solubility0.000305 mg/mLALOGPS
logP7.34ALOGPS
logP7.74ChemAxon
logS-6.2ALOGPS
pKa (Strongest Acidic)13.61ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.06 Å2ChemAxon
Rotatable Bond Count27ChemAxon
Refractivity142.72 m3·mol-1ChemAxon
Polarizability62.54 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
2 DG(10:0(3-OH)/16:1(9Z)/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(10:0(3-OH)/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