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CHEBI:167044 - terreazepine

ChEBI IDCHEBI:167044
ChEBI Nameterreazepine
Stars
DefinitionA member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus.
Last Modified27 April 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC17H15N3O3
Net Charge0
Average Mass309.325
Monoisotopic Mass309.11134
SMILESNc1ccccc1C(=O)NC1CC(=O)c2ccccc2NC1=O
InChIInChI=1S/C17H15N3O3/c18-12-7-3-1-5-10(12)16(22)20-14-9-15(21)11-6-2-4-8-13(11)19-17(14)23/h1-8,14H,9,18H2,(H,19,23)(H,20,22)
InChIKeyTVPLZAQWRYWFFT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus ATCC 20542 (ncbitaxon:285217) - PubMed (32843555)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
terreazepine (CHEBI:167044) has functional parent anthranilic acid (CHEBI:30754)
terreazepine (CHEBI:167044) has role Aspergillus metabolite (CHEBI:76956)
terreazepine (CHEBI:167044) is a anilines (CHEBI:22562)
terreazepine (CHEBI:167044) is a benzamides (CHEBI:22702)
terreazepine (CHEBI:167044) is a benzazepine (CHEBI:35676)
terreazepine (CHEBI:167044) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
2-amino-N-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)benzamide
Synonym  Source
2-amino-N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)benzamideChEBI
Citations