CHEBI:226927 - Sch 54794

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sch 54794
ChEBI ID CHEBI:226927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
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Formula C18H24N2O3S2
Net Charge 0
Average Mass 380.520
Monoisotopic Mass 380.12283
InChI InChI=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
InChIKey OUPACRHVFRGERT-WMZOPIPTSA-N
SMILES S([C@@]1(NC(=O)[C@H](SC)NC1=O)CC2=CC=C(OCC=C(C)C)C=C2)C
Metabolite of Species Details
Tolypocladiumspecies (NCBI:txid1856741) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
8537845 ChemSpider
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