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CHEBI:77386 - tricaproin

ChEBI IDCHEBI:77386
ChEBI Nametricaproin
Stars
DefinitionA triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid.
Last Modified4 September 2015
Submitterlaimo
DownloadsMolfile
FormulaC21H38O6
Net Charge0
Average Mass386.529
Monoisotopic Mass386.26684
SMILESCCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
InChIInChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
InChIKeyMAYCICSNZYXLHB-UHFFFAOYSA-N
Roles Classification
Application:
insect repellent  An insecticide that acts as a repellent to insects.
ChEBI Ontology
Outgoing Relation(s)
tricaproin (CHEBI:77386) has role insect repellent (CHEBI:71692)
tricaproin (CHEBI:77386) is a hexanoate ester (CHEBI:87656)
tricaproin (CHEBI:77386) is a triglyceride (CHEBI:17855)
IUPAC Name 
propane-1,2,3-triyl trihexanoate
Synonyms  Source
1,2,3-trihexanoylglycerolSUBMITTER
TG 6:0/6:0/6:0SUBMITTER
Glycerol trihexanoateNIST Chemistry WebBook
Hexanoic acid, 1,2,3-propanetriyl esterChemIDplus
Trihexanoyl glycerolChemIDplus
TrihexanoinNIST Chemistry WebBook
UniProt Name  Source
trihexanoylglycerolUniProt
Manual XrefsDatabases
HMDB0031125HMDB
WO2008082028Patent
KR20080063014Patent
Registry NumbersSources
Reaxys:1806732Reaxys
CAS:621-70-5ChemIDplus
CAS:621-70-5NIST Chemistry WebBook
Citations