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CHEBI:77388 - tricaprin

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-tridecanoylglycerolSUBMITTER
TG 10:0/10:0/10:0SUBMITTER
TridecanoinLIPID MAPS
Glycerol tridecanoateChemIDplus
Glycerol tricaprateChemIDplus
CaprinChemIDplus
UniProt Name  Source
tridecanoylglycerolUniProt
Manual XrefsDatabases
LMGL03012617LIPID MAPS
HMDB0000548HMDB
Registry NumbersSources
Reaxys:1717683Reaxys
CAS:621-71-6ChemIDplus
CAS:621-71-6NIST Chemistry WebBook
Citations