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CHEBI:217661 - Chromoazepinone A

ChEBI IDCHEBI:217661
ChEBI NameChromoazepinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H15N3O3
Net Charge0
Average Mass357.369
Monoisotopic Mass357.11134
SMILESO=C(O)C1=Cc2c(nc3ccccc23)C(=O)[C@H](c2cnc3ccccc23)N1
InChIInChI=1S/C21H15N3O3/c25-20-18-13(11-5-2-4-8-16(11)23-18)9-17(21(26)27)24-19(20)14-10-22-15-7-3-1-6-12(14)15/h1-10,19,22-24H,(H,26,27)/t19-/m0/s1
InChIKeyWAYCTJIOHZZDEI-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536) - PubMed (20490411)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Chromoazepinone A (CHEBI:217661) is a α-amino acid (CHEBI:33704)
IUPAC Name 
4-(1H-indol-3-yl)-5-oxo-4,6-dihydro-3H-azepino[4,5-b]indole-2-carboxylic acid
Manual XrefsDatabases
24582479ChemSpider