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CHEBI:231188 - [(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate

ChEBI IDCHEBI:231188
ChEBI Name[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44O7
Net Charge0
Average Mass444.609
Monoisotopic Mass444.30870
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h9-10,19,21-25,27-29H,2-8,11-18H2,1H3/b10-9+
InChIKeyLUXUAZKGQZPOBZ-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate (CHEBI:231188) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-octadec-9-enoate
Manual XrefsDatabases
10637376ChemSpider