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CHEBI:226927 - Sch 54794

ChEBI IDCHEBI:226927
ChEBI NameSch 54794
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N2O3S2
Net Charge0
Average Mass380.535
Monoisotopic Mass380.12283
SMILESCS[C@@H]1NC(=O)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)NC1=O
InChIInChI=1S/C18H24N2O3S2/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-18(25-4)17(22)19-16(24-3)15(21)20-18/h5-9,16H,10-11H2,1-4H3,(H,19,22)(H,20,21)/t16-,18-/m0/s1
InChIKeyOUPACRHVFRGERT-WMZOPIPTSA-N
Species of MetaboliteComponentSourceComments
Tolypocladiumspecies (ncbitaxon:1856741) - DOI (10.1016/s0040-4039(00)60393-3)
ChEBI Ontology
Outgoing Relation(s)
Sch 54794 (CHEBI:226927) has functional parent α-amino acid (CHEBI:33704)
Sch 54794 (CHEBI:226927) is a organonitrogen compound (CHEBI:35352)
Sch 54794 (CHEBI:226927) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione
Manual XrefsDatabases
8537845ChemSpider