CHEBI:76978 - trioctanoin

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ChEBI Name trioctanoin
ChEBI ID CHEBI:76978
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:32258
Supplier Information
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Formula C27H50O6
Net Charge 0
Average Mass 470.68230
Monoisotopic Mass 470.361
InChI InChI=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
InChIKey VLPFTAMPNXLGLX-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): anticonvulsant
A drug used to prevent seizures or reduce their severity.
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ChEBI Ontology
Outgoing 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 Sources
1,2,3-Propanetriol trioctanoate ChemIDplus
1,2,3-trioctanoylglycerol UniProt
Caprylic acid triglyceride ChemIDplus
Caprylic acid, 1,2,3-propanetriyl ester ChemIDplus
Caprylic triglyceride ChemIDplus
Caprylin ChemIDplus
Glycerin tricaprylate NIST Chemistry WebBook
Glycerol tricaprylate ChemIDplus
Glycerol trioctanoate ChemIDplus
Glycerol trioctanoin SUBMITTER
Glyceryl tricaprylate ChemIDplus
Octanoic acid triglyceride ChemIDplus
Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester NIST Chemistry WebBook
Octanoic acid, 1,2,3-propanetriyl ester ChemIDplus
TG(8:0/8:0/8:0) HMDB
Tricaprilin KEGG COMPOUND
Tricaprylic glyceride ChemIDplus
Tricaprylin ChemIDplus
Tricapryloylglycerol NIST Chemistry WebBook
Tricaprylyl glycerin NIST Chemistry WebBook
trioctanoylglyceride SUBMITTER
Trioctanoylglycerol KEGG COMPOUND
Trioctanoylglycerol ChemIDplus
Brand Name Source
Axona ChEBI
Manual Xrefs Databases
Axona Wikipedia
C13044 KEGG COMPOUND
D01587 KEGG DRUG
HMDB0011187 HMDB
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Registry Numbers Types Sources
1717202 Beilstein Registry Number ChemIDplus
1717202 Reaxys Registry Number Reaxys
538-23-8 CAS Registry Number KEGG COMPOUND
538-23-8 CAS Registry Number ChemIDplus
538-23-8 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
100603 PubMed citation Europe PMC
21262136 PubMed citation Europe PMC
24169853 PubMed citation Europe PMC
3752242 PubMed citation Europe PMC
6616756 PubMed citation Europe PMC
884170 PubMed citation Europe PMC
Last Modified
27 August 2015