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CHEBI:224498 - (3S,4S,5S)-3-[(E)-3-(3-heptyloxiran-2-yl)prop-2-enoyl]-3,4-dihydroxy-5-methylpyrrolidin-2-one

ChEBI IDCHEBI:224498
ChEBI Name(3S,4S,5S)-3-[(E)-3-(3-heptyloxiran-2-yl)prop-2-enoyl]-3,4-dihydroxy-5-methylpyrrolidin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27NO5
Net Charge0
Average Mass325.405
Monoisotopic Mass325.18892
SMILESCCCCCCCC1OC1/C=C/C(=O)[C@]1(O)C(=O)N[C@@H](C)[C@@H]1O
InChIInChI=1S/C17H27NO5/c1-3-4-5-6-7-8-12-13(23-12)9-10-14(19)17(22)15(20)11(2)18-16(17)21/h9-13,15,20,22H,3-8H2,1-2H3,(H,18,21)/b10-9+/t11-,12?,13?,15-,17+/m0/s1
InChIKeyZITQOKSHWTVTEJ-GEFUXNPMSA-N
Species of MetaboliteComponentSourceComments
Sarocladium kiliense (ncbitaxon:45277) - PubMed (14632289)
ChEBI Ontology
Outgoing Relation(s)
(3S,4S,5S)-3-[(E)-3-(3-heptyloxiran-2-yl)prop-2-enoyl]-3,4-dihydroxy-5-methylpyrrolidin-2-one (CHEBI:224498) is a enone (CHEBI:51689)
(3S,4S,5S)-3-[(E)-3-(3-heptyloxiran-2-yl)prop-2-enoyl]-3,4-dihydroxy-5-methylpyrrolidin-2-one (CHEBI:224498) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(3S,4S,5S)-3-[(E)-3-(3-heptyloxiran-2-yl)prop-2-enoyl]-3,4-dihydroxy-5-methylpyrrolidin-2-one
Manual XrefsDatabases
78437751ChemSpider