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CHEBI:220240 - Reductiline

ChEBI IDCHEBI:220240
ChEBI NameReductiline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O3S
Net Charge0
Average Mass320.414
Monoisotopic Mass320.11946
SMILESCSCCCn1ccc(/C=C/C(=O)NC2=C(O)CCC2=O)c1
InChIInChI=1S/C16H20N2O3S/c1-22-10-2-8-18-9-7-12(11-18)3-6-15(21)17-16-13(19)4-5-14(16)20/h3,6-7,9,11,19H,2,4-5,8,10H2,1H3,(H,17,21)/b6-3+
InChIKeyAXNPQAHGUJEYEU-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis orientalis (ncbitaxon:31958) - DOI (10.1016/s0040-4039(00)85765-2)
ChEBI Ontology
Outgoing Relation(s)
Reductiline (CHEBI:220240) is a pyrroles (CHEBI:26455)
IUPAC Name 
(E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-3-[1-(3-methylsulanylpropyl)pyrrol-3-yl]prop-2-enamide
Manual XrefsDatabases
78435026ChemSpider