EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217926 - (3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione

ChEBI IDCHEBI:217926
ChEBI Name(3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O2
Net Charge0
Average Mass258.321
Monoisotopic Mass258.13683
SMILESCC[C@H](C)[C@@H]1NC(=O)/C(=C/c2ccccc2)NC1=O
InChIInChI=1S/C15H18N2O2/c1-3-10(2)13-15(19)16-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3,(H,16,19)(H,17,18)/b12-9-/t10-,13-/m0/s1
InChIKeyGDIPYEGXOVHMRG-OZKDWXSISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies FXJ7.328 (ncbitaxon:988910) - PubMed (23538868)
ChEBI Ontology
Outgoing Relation(s)
(3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione (CHEBI:217926) has functional parent α-amino acid (CHEBI:33704)
(3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione (CHEBI:217926) is a organonitrogen compound (CHEBI:35352)
(3Z,6S)-3-benzylidene-6-(2S-but-2-yl)piperazine-2,5-dione (CHEBI:217926) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-benzylidene-6-[(2S)-butan-2-yl]piperazine-2,5-dione
Manual XrefsDatabases
29215650ChemSpider