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CHEBI:204000 - ( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione

ChEBI IDCHEBI:204000
ChEBI Name( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O3S
Net Charge0
Average Mass306.387
Monoisotopic Mass306.10381
SMILESCS[C@]1(CO)C(=O)N(C)/C(=C\c2ccccc2)C(=O)N1C
InChIInChI=1S/C15H18N2O3S/c1-16-12(9-11-7-5-4-6-8-11)13(19)17(2)15(10-18,21-3)14(16)20/h4-9,18H,10H2,1-3H3/b12-9-/t15-/m1/s1
InChIKeyHKUWFXOAQGVJHR-HMVFGEFZSA-N
ChEBI Ontology
Outgoing Relation(s)
( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione (CHEBI:204000) has functional parent α-amino acid (CHEBI:33704)
( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione (CHEBI:204000) is a organonitrogen compound (CHEBI:35352)
( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione (CHEBI:204000) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6Z)-6-benzylidene-3-(hydroxymethyl)-1,4-dimethyl-3-methylsulanylpiperazine-2,5-dione
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27023190ChemSpider