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CHEBI:177670 - Tritridecanoin

ChEBI IDCHEBI:177670
ChEBI NameTritridecanoin
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80O6
Net Charge0
Average Mass681.096
Monoisotopic Mass680.59549
SMILESCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C42H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-39(48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3
InChIKeyUDXANBFMQUOKTQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Tritridecanoin (CHEBI:177670) is a triglyceride (CHEBI:17855)
IUPAC Name 
2,3-di(tridecanoyloxy)propyl tridecanoate
Manual XrefsDatabases
LMGL03012619LIPID MAPS
HMDB0031110HMDB
105278ChemSpider
Registry NumbersSources
CAS:26536-12-9ChemIDplus