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CHEBI:189248 - Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate

ChEBI IDCHEBI:189248
ChEBI NameDiethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19NO7
Net Charge0
Average Mass289.284
Monoisotopic Mass289.11615
SMILESCCOC(=O)CC(=O)NC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H19NO7/c1-4-18-9(15)7-8(14)13-10(11(16)19-5-2)12(17)20-6-3/h10H,4-7H2,1-3H3,(H,13,14)
InChIKeyPEEDQHGRWFGQDK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate (CHEBI:189248) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
diethyl 2-[(3-ethoxy-3-oxopropanoyl)amino]propanedioate
Manual XrefsDatabases
494142ChemSpider