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CHEBI:183787 - N1-(2-oxoazepan-3-yl)-N2-(3-pyridylmethyl)ethanediamide

ChEBI IDCHEBI:183787
ChEBI NameN1-(2-oxoazepan-3-yl)-N2-(3-pyridylmethyl)ethanediamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N4O3
Net Charge0
Average Mass290.323
Monoisotopic Mass290.13789
SMILESO=C(NCc1cccnc1)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H18N4O3/c19-12-11(5-1-2-7-16-12)18-14(21)13(20)17-9-10-4-3-6-15-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyCRRGKIISXWJPNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N1-(2-oxoazepan-3-yl)-N2-(3-pyridylmethyl)ethanediamide (CHEBI:183787) is a peptide (CHEBI:16670)
IUPAC Name 
N'-(2-oxoazepan-3-yl)-N-(pyridin-3-ylmethyl)oxamide
Manual XrefsDatabases
2084215ChemSpider