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CHEBI:230659 - 1-Tert-butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

ChEBI IDCHEBI:230659
ChEBI Name1-Tert-butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23NO5
Net Charge0
Average Mass285.340
Monoisotopic Mass285.15762
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C14H23NO5/c1-5-19-12(17)10-6-8-15(9-7-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3
InChIKeyFGOJCPKOOGIRPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
1-Tert-butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate (CHEBI:230659) is a azepanes (CHEBI:46986)
IUPAC Name 
1-O-tert-butyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate
Manual XrefsDatabases
HMDB0244604HMDB
3636254ChemSpider