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CHEBI:84271 - allyl octadecyl oxalate

ChEBI IDCHEBI:84271
ChEBI Nameallyl octadecyl oxalate
Stars
DefinitionA diester obtained by the formal condensation of both the carboxy group of oxalic acid with the hydroxy groups of allyl alcohol and stearyl alcohol respectively. Metabolite observed in cancer metabolism.
Last Modified16 May 2016
Submitternamrata
DownloadsMolfile
FormulaC23H42O4
Net Charge0
Average Mass382.585
Monoisotopic Mass382.30831
SMILESC=CCOC(=O)C(=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-23(25)22(24)26-20-4-2/h4H,2-3,5-21H2,1H3
InChIKeyJUETYCJINGVUAJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
allyl octadecyl oxalate (CHEBI:84271) has functional parent allyl alcohol (CHEBI:16605)
allyl octadecyl oxalate (CHEBI:84271) has functional parent octadecan-1-ol (CHEBI:32154)
allyl octadecyl oxalate (CHEBI:84271) has functional parent oxalic acid (CHEBI:16995)
allyl octadecyl oxalate (CHEBI:84271) has role human metabolite (CHEBI:77746)
allyl octadecyl oxalate (CHEBI:84271) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
allyl octadecyl oxalate (CHEBI:84271) is a diester (CHEBI:51307)
IUPAC Name 
octadecyl prop-2-en-1-yl ethanedioate
Citations