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CHEBI:209461 - Mellamide

ChEBI IDCHEBI:209461
ChEBI NameMellamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N3O2
Net Charge0
Average Mass381.520
Monoisotopic Mass381.24163
SMILESC=CC(C)(C)c1cccc2c(/C=C\NC(=O)[C@H](C(C)C)N(C)C(C)=O)cnc12
InChIInChI=1S/C23H31N3O2/c1-8-23(5,6)19-11-9-10-18-17(14-25-20(18)19)12-13-24-22(28)21(15(2)3)26(7)16(4)27/h8-15,21,25H,1H2,2-7H3,(H,24,28)/b13-12-/t21-/m0/s1
InChIKeyKIEYKCOFHFINQI-SQZREULQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus melleus (ncbitaxon:138277) - PubMed (12687496)
ChEBI Ontology
Outgoing Relation(s)
Mellamide (CHEBI:209461) is a valine derivative (CHEBI:27267)
IUPAC Name 
2-[acetyl(methyl)amino]-3-methyl-N-[(Z)-2-[7-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethenyl]butanamide
Manual XrefsDatabases
78435404ChemSpider