EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53753 - triolein

Default Structure
ChEBI IDCHEBI:53753
ChEBI Nametriolein
Stars
DefinitionA triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil.
Last Modified21 July 2016
Submitterzjosephs
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
InChIKeyPHYFQTYBJUILEZ-IUPFWZBJSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23475189)
Roles Classification
Biological Roles:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
triolein (CHEBI:53753) has functional parent oleic acid (CHEBI:16196)
triolein (CHEBI:53753) has role Caenorhabditis elegans metabolite (CHEBI:78804)
triolein (CHEBI:53753) has role plant metabolite (CHEBI:76924)
triolein (CHEBI:53753) is a triglyceride (CHEBI:17855)
IUPAC Name 
propane-1,2,3-triyl tris[(9Z)-octadec-9-enoate]
Synonyms  Source
1,2,3-tri-(9Z-octadecenoyl)-glycerolLIPID MAPS
Glycerin trioleateChemIDplus
Glycerol, tri(cis-9-octadecenoate)ChemIDplus
Glycerol trioleateChemIDplus
Glycerol trioleinChemIDplus
Glyceryl-1,2,3-trioleateChemIDplus
UniProt Name  Source
1,2,3-tri-(9Z-octadecenoyl)-glycerolUniProt
Manual XrefsDatabases
491PPDB
CPD-11691MetaCyc
HMDB0005453HMDB
LMGL03010250LIPID MAPS
TrioleinWikipedia
Registry NumbersSources
Reaxys:1718692Reaxys
CAS:122-32-7NIST Chemistry WebBook
CAS:122-32-7ChemIDplus
Citations