EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203550 - 3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione

ChEBI IDCHEBI:203550
ChEBI Name3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O2
Net Charge0
Average Mass325.412
Monoisotopic Mass325.17903
SMILESCC(C)=CCn1cc(C[C@@H]2NC(=O)[C@H](C)NC2=O)c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-12(2)8-9-22-11-14(15-6-4-5-7-17(15)22)10-16-19(24)20-13(3)18(23)21-16/h4-8,11,13,16H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1
InChIKeyUNYNGLCVZKLLDV-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione (CHEBI:203550) has functional parent α-amino acid (CHEBI:33704)
3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione (CHEBI:203550) is a organonitrogen compound (CHEBI:35352)
3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione (CHEBI:203550) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-methyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
58986752ChemSpider