Record Information
Version1.0
Creation Date2020-03-04 16:39:57 UTC
Update Date2020-05-21 16:29:14 UTC
BMDB IDBMDB0064231
Secondary Accession Numbers
  • BMDB64231
Metabolite Identification
Common NameDG(10:0/8:0/0:0)
DescriptionDG(10:0/8:0/0:0) 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(10:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
Synonyms
ValueSource
1-decanoyl-2-capryloyl-sn-glycerol SMPDB, HMDB
DG(18:0) SMPDB, HMDB
Dag(10:0/8:0/0:0) SMPDB, HMDB
Dag(18:0) SMPDB, HMDB
Diacylglycerol(10:0/8:0/0:0) SMPDB, HMDB
Diacylglycerol(18:0) SMPDB, HMDB
Diacylglycerol SMPDB, HMDB
DiglycerideSMPDB, HMDB
DG(10:0/8:0/0:0)SMPDB
1-animal fats-2-capryloyl-sn-glycerolLipid Annotator, HMDB
Diacylglycerol(10:0/8:0)Lipid Annotator, HMDB
DAG(10:0/8:0)Lipid Annotator, HMDB
1-decanoic acid-2-octanoyl-sn-glycerolLipid Annotator, HMDB
DiacylglycerolLipid Annotator
DG(18:0)Lipid Annotator
DG(10:0/8:0)Lipid Annotator, HMDB
Diacylglycerol(18:0)Lipid Annotator
DAG(18:0)Lipid Annotator
Chemical FormulaC21H40O5
Average Molecular Weight372.546
Monoisotopic Molecular Weight372.287574388
IUPAC Name(2S)-3-hydroxy-2-(octanoyloxy)propyl decanoate
Traditional Name(2S)-3-hydroxy-2-(octanoyloxy)propyl decanoate
CAS Registry NumberNot Available
SMILES
[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC
InChI Identifier
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3/t19-/m0/s1
InChI KeyXDYVDYBOLARYBO-IBGZPJMESA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassDiradylglycerols
Direct Parent1,2-diacylglycerols
Alternative Parents
Substituents
  • 1,2-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • Dicarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP5.88ALOGPS
logP5.78ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)14.58ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area72.83 ŲChemAxon
Rotatable Bond Count20ChemAxon
Refractivity103.28 m³·mol⁻¹ChemAxon
Polarizability45.16 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-004i-7924200000-e129d816f455136be86dView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0009000000-1f8ea96cbaf0f9c826e3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0zk9-0094000000-5304e1595518491ec0d3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0ui3-0094000000-4463ba42559690cc6565View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-006x-1912000000-606df25f5b16bb42111fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00dl-2910000000-c26110ca53565edf7c57View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00b9-0900000000-0857e61832b8caf4647fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0fmi-2789000000-05d0653c469d0542b79dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9630000000-31e81673426f51bea2e1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a6s-9400000000-046252afb29ff77fbf2aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0009000000-e444e2de521d0ebb041bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0zk9-0094000000-7edbf96906ab2eaf69f3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0ui3-0094000000-b29638d9581e701d0047View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0009000000-c0752f44065cd8cdf6c8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0009000000-c0752f44065cd8cdf6c8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0ur0-0190000000-b66412de00e326ed644dView in MoNA
Biological Properties
Cellular Locations
  • Cell membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0092959
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB064921
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73416319
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Not Available
Specific function:
Catalyzes the terminal and only committed step in triacylglycerol synthesis by using diacylglycerol and fatty acyl CoA as substrates. In contrast to DGAT2 it is not essential for survival. May be involved in VLDL (very low density lipoprotein) assembly. Functions as the major acyl-CoA retinol acyltransferase (ARAT) in the skin, where it acts to maintain retinoid homeostasis and prevent retinoid toxicity leading to skin and hair disorders. In liver, plays a role in esterifying exogenous fatty acids to glycerol.
Gene Name:
DGAT1
Uniprot ID:
Q8MK44
Molecular weight:
55602.0
Reactions
DG(10:0/8:0/0:0) + Heptadecanoyl CoA → TG(10:0/8:0/17:0) + Coenzyme Adetails