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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 Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
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 antispasmodic drug (CHEBI:53784)
trioctanoin (CHEBI:76978) has role immunosuppressive agent (CHEBI:35705)
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
INNs  Source
tricaprilinaWHO MedNet
tricaprilineWHO MedNet
Synonyms  Source
1,2,3-Propanetriol trioctanoateChemIDplus
AC-1202ChEMBL
AC-1204ChEMBL
Caprylic acid, 1,2,3-propanetriyl esterChemIDplus
Caprylic acid triglycerideChemIDplus
Caprylic triglycerideChemIDplus
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