Showing metabocard for TG(i-18:0/i-21:0/16:0) (BMDB0090590)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-07 15:05:31 UTC
Update Date2020-04-22 18:44:52 UTC
BMDB IDBMDB0090590
Secondary Accession Numbers
  • BMDB90590
Metabolite Identification
Common NameTG(i-18:0/i-21:0/16:0)
DescriptionTG(i-18:0/i-21:0/16:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(i-18:0/i-21:0/16:0) is made up of one 16-methylheptadecanoyl(R1), one 19-methyleicosanoyl(R2), and one hexadecanoyl(R3).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-isooctadecanoyl-2-isoheneicosanoyl-3-hexadecanoyl-glycerolLipid Annotator, HMDB
TriglycerideLipid Annotator, HMDB
TriacylglycerolLipid Annotator, HMDB
TAG(55:0)Lipid Annotator, HMDB
TG(i-18:0/i-21:0/16:0)Lipid Annotator
Tracylglycerol(i-18:0/i-21:0/16:0)Lipid Annotator, HMDB
TAG(i-18:0/i-21:0/16:0)Lipid Annotator, HMDB
Tracylglycerol(55:0)Lipid Annotator, HMDB
1-isooctadecanoyl-2-isoheneicosanoyl-3-palmitoyl-glycerolLipid Annotator, HMDB
TG(55:0)Lipid Annotator, HMDB
(2R)-1-(Hexadecanoyloxy)-3-[(16-methylheptadecanoyl)oxy]propan-2-yl 19-methylicosanoic acidGenerator, HMDB
Chemical FormulaC58H112O6
Average Molecular Weight905.528
Monoisotopic Molecular Weight904.845891326
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-16-23-28-33-38-43-48-56(59)62-51-55(52-63-57(60)49-44-39-34-29-24-20-19-22-27-32-37-42-47-54(4)5)64-58(61)50-45-40-35-30-25-18-15-13-14-17-21-26-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m1/s1
InChI KeyHDRMVDITTLLAPE-KZRJWCEASA-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
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Adiposome
  • 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 PropertiesNot Available
Spectra
Spectra
Biological Properties
Cellular Locations
  • Adiposome
  • Cell membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0109210
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB081029
KNApSAcK IDNot Available
Chemspider ID74873090
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131817288
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available