DG(10:0(3-OH)/15:0cyclo/0:0) (PAMDB006859)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB006859
Identification
Name: DG(10:0(3-OH)/15:0cyclo/0:0)
Description:DG(10:0(3-OH)/15:0cyclo/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)/15:0cyclo/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: C28H52O6
Average Molecular Weight: 484.718
Monoisotopic Molecular Weight: 484.376389394
InChI Key: BLSZLDFQBXPTAF-BDSJNSOASA-N
InChI:InChI=1S/C28H52O6/c1-3-5-7-9-13-17-25(29)20-28(32)34-22-26(30)21-33-27(31)18-14-11-8-10-12-16-24-19-23(24)15-6-4-2/h23-26,29-30H,3-22H2,1-2H3/t23?,24?,25?,26-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydecanoate
Traditional IUPAC Name: (2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydecanoate
SMILES:[H][C@@](O)(COC(=O)CCCCCCCC1CC1CCCC)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 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 Solubility0.000894 mg/mLALOGPS
logP6.58ALOGPS
logP6.88ChemAxon
logS-5.7ALOGPS
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 Count25ChemAxon
Refractivity135.1 m3·mol-1ChemAxon
Polarizability60.31 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
2 DG(10:0(3-OH)/15:0cyclo/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(10:0(3-OH)/15:0cyclo) + 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