CHEBI:218787 - 3-(methylthio)phomamide

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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 3-(methylthio)phomamide
ChEBI ID CHEBI:218787
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H24N2O4S
Net Charge 0
Average Mass 364.460
Monoisotopic Mass 364.14568
InChI InChI=1S/C18H24N2O4S/c1-12(2)8-9-24-14-6-4-13(5-7-14)10-18(25-3)17(23)19-15(11-21)16(22)20-18/h4-8,15,21H,9-11H2,1-3H3,(H,19,23)(H,20,22)/t15-,18+/m0/s1
InChIKey QZBLEZWHCZPHCC-MAUKXSAKSA-N
SMILES S([C@]1(NC(=O)[C@H](CO)NC1=O)CC2=CC=C(OCC=C(C)C)C=C2)C
Metabolite of Species Details
Plenodomus lingam (NCBI:txid5022) See: DOI
ChEBI Ontology
Outgoing 3-(methylthio)phomamide (CHEBI:218787) has functional parent α-amino acid (CHEBI:33704)
3-(methylthio)phomamide (CHEBI:218787) is a organonitrogen compound (CHEBI:35352)
3-(methylthio)phomamide (CHEBI:218787) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6S)-6-(hydroxymethyl)-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3-methylsulanylpiperazine-2,5-dione
Manual Xref Database
78440276 ChemSpider
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