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CHEBI:218787 - 3-(methylthio)phomamide

ChEBI IDCHEBI:218787
ChEBI Name3-(methylthio)phomamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N2O4S
Net Charge0
Average Mass364.467
Monoisotopic Mass364.14568
SMILESCS[C@@]1(Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@H](CO)NC1=O
InChIInChI=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
InChIKeyQZBLEZWHCZPHCC-MAUKXSAKSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/0031-9422(90)80017-b)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78440276ChemSpider