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Record Information
Version1.0
Creation Date2018-08-29 17:21:48 UTC
Update Date2020-06-04 20:17:42 UTC
MCDB ID BMDB0063440
Secondary Accession Numbers
  • BMDB63440
Metabolite Identification
Common NameTG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]
DescriptionTG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Thus, TG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] is considered to be a triradylglycerol lipid molecule. TG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Thumb
Synonyms
ValueSource
1-Hexadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerolHMDB
1-Palmitoyl-2-homo-g-linolenoyl-3-homo-g-linolenoyl-glycerolHMDB
TAG(16:0/20:3/20:3)HMDB
TAG(16:0/20:3n6/20:3n6)HMDB
TAG(16:0/20:3W6/20:3W6)HMDB
TAG(56:6)HMDB
TG(16:0/20:3/20:3)HMDB
TG(16:0/20:3W6/20:3W6)HMDB
TG(56:6)HMDB
Tracylglycerol(16:0/20:3/20:3)HMDB
Tracylglycerol(16:0/20:3n6/20:3n6)HMDB
Tracylglycerol(16:0/20:3W6/20:3W6)HMDB
Tracylglycerol(56:6)HMDB
TriacylglycerolHMDB
TriglycerideHMDB
1-Palmitoyl-2-dihomo-gamma-linolenoyl-3-dihomo-gamma-linolenoyl-glycerolHMDB
Tag(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))HMDB
Triacylglycerol(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))HMDB
Triacylglycerol(16:0/20:3/20:3)HMDB
Triacylglycerol(16:0/20:3n6/20:3n6)HMDB
Triacylglycerol(16:0/20:3W6/20:3W6)HMDB
Triacylglycerol(56:6)HMDB
TG(16:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))HMDB
TG(16:0/20:3n6/20:3n6)SMPDB
Chemical FormulaC59H102O6
Average Molecular Weight907.459
Monoisotopic Molecular Weight906.767641004
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32-/t56-/m0/s1
InChI KeyIEFYSGXZIYBWNF-OTICDNTFSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
Substituents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
Concentrations
StatusValueReferenceDetails
Detected and Quantified6.4 +/- 0.1 uM details
Detected and Quantified14 +/- 1 uM details
Detected and Quantified85 +/- 2 uM details
Detected and Quantified0.25 +/- 0.01 uM details
HMDB IDHMDB0044349
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.