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CHEBI:176706 - (2S)-1-Hydroxy-3-[(11Z)-11-icosenoyloxy]-2-propanyl eicosanoate

ChEBI IDCHEBI:176706
ChEBI Name(2S)-1-Hydroxy-3-[(11Z)-11-icosenoyloxy]-2-propanyl eicosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H82O5
Net Charge0
Average Mass679.124
Monoisotopic Mass678.61623
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,41,44H,3-16,18,20-40H2,1-2H3/b19-17-/t41-/m0/s1
InChIKeySNTJOBLGSNXKNJ-AYBFMUQTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-Hydroxy-3-[(11Z)-11-icosenoyloxy]-2-propanyl eicosanoate (CHEBI:176706) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
24766121ChemSpider
HMDB0007397HMDB