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CHEBI:77388 - tricaprin

Default Structure
ChEBI IDCHEBI:77388
ChEBI Nametricaprin
Stars
DefinitionA triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by capric (decanoic) acid.
Last Modified3 September 2015
Submitterlaimo
DownloadsMolfile
FormulaC33H62O6
Net Charge0
Average Mass554.853
Monoisotopic Mass554.45464
SMILESCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
InChIInChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKeyLADGBHLMCUINGV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tricaprin (CHEBI:77388) is a decanoate ester (CHEBI:87658)
tricaprin (CHEBI:77388) is a triglyceride (CHEBI:17855)
IUPAC Name 
propane-1,2,3-triyl tridecanoate
Synonyms  Source
1,2,3-Propanol tridecanoateChemIDplus
1,2,3-tridecanoylglycerolSUBMITTER
Capric acid triglycerideChemIDplus
Capric triglycerideNIST Chemistry WebBook
CaprinChemIDplus
Decanoic acid, 1,2,3-propanetriyl esterChemIDplus
UniProt Name  Source
tridecanoylglycerolUniProt
Manual XrefsDatabases
HMDB0000548HMDB
LMGL03012617LIPID MAPS
Registry NumbersSources
Reaxys:1717683Reaxys
CAS:621-71-6NIST Chemistry WebBook
CAS:621-71-6ChemIDplus
Citations