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CHEBI:76978 - trioctanoin

Default Structure
ChEBI IDCHEBI:76978
ChEBI Nametrioctanoin
Stars
DefinitionA triglyceride obtained by acylation of the three hydroxy groups of glycerol by octanoic acid. Used as an alternative energy source to glucose for patients with mild to moderate Alzheimer's disease.
Secondary ChEBI IDCHEBI:32258
Last Modified27 August 2015
Submitterlaimo
DownloadsMolfile
FormulaC27H50O6
Net Charge0
Average Mass470.691
Monoisotopic Mass470.36074
SMILESCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChIInChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKeyVLPFTAMPNXLGLX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
trioctanoin (CHEBI:76978) has role anticonvulsant (CHEBI:35623)
trioctanoin (CHEBI:76978) has role plant metabolite (CHEBI:76924)
trioctanoin (CHEBI:76978) is a octanoate ester (CHEBI:87657)
trioctanoin (CHEBI:76978) is a triglyceride (CHEBI:17855)
IUPAC Name 
propane-1,2,3-triyl trioctanoate
Synonyms  Source
1,2,3-Propanetriol trioctanoateChemIDplus
Caprylic acid, 1,2,3-propanetriyl esterChemIDplus
Caprylic acid triglycerideChemIDplus
Caprylic triglycerideChemIDplus
CaprylinChemIDplus
Glycerin tricaprylateNIST Chemistry WebBook
Brand Name  Source
AxonaChEBI
UniProt Name  Source
1,2,3-trioctanoylglycerolUniProt
Manual XrefsDatabases
AxonaWikipedia
C13044KEGG COMPOUND
D01587KEGG DRUG
HMDB0011187HMDB
Registry NumbersSources
Reaxys:1717202Reaxys
CAS:538-23-8NIST Chemistry WebBook
CAS:538-23-8KEGG COMPOUND
CAS:538-23-8ChemIDplus
Citations