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CHEBI:229048 - Alpha:alpha-Diolein

ChEBI IDCHEBI:229048
ChEBI NameAlpha:alpha-Diolein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72O5
Net Charge0
Average Mass621.000
Monoisotopic Mass620.53798
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
InChIKeyDRAWQKGUORNASA-XPWSMXQVSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
Alpha:alpha-Diolein (CHEBI:229048) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Manual XrefsDatabases
4475875ChemSpider