CHEBI:177670 - Tritridecanoin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tritridecanoin
ChEBI ID CHEBI:177670
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H80O6
Net Charge 0
Average Mass 681.096
Monoisotopic Mass 680.59549
InChI InChI=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
InChIKey UDXANBFMQUOKTQ-UHFFFAOYSA-N
SMILES O(C(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)C(=O)CCCCCCCCCCCC
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Tritridecanoin (CHEBI:177670) is a triglyceride (CHEBI:17855)
IUPAC Name
2,3-di(tridecanoyloxy)propyl tridecanoate
Manual Xrefs Databases
105278 ChemSpider
HMDB0031110 HMDB
LMGL03012619 LIPID MAPS
View more database links
Registry Number Type Source
26536-12-9 CAS Registry Number ChemIDplus
Last Modified
27 September 2021