CHEBI:183376 - methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate
ChEBI ID CHEBI:183376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H19NO6
Net Charge 0
Average Mass 309.318
Monoisotopic Mass 309.12124
InChI InChI=1S/C15H19NO6/c1-4-6-11(17)10(14(18)21-5-2)9-16-13-8-7-12(22-13)15(19)20-3/h7-9,16H,4-6H2,1-3H3
InChIKey ZTKGCZWWMLWTSR-UHFFFAOYSA-N
SMILES O1C(NC=C(C(=O)CCC)C(OCC)=O)=CC=C1C(OC)=O
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate (CHEBI:183376) has functional parent 2-furoic acid (CHEBI:30845)
methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate (CHEBI:183376) is a carboxylic ester (CHEBI:33308)
IUPAC Name
methyl 5-[(2-ethoxycarbonyl-3-oxohex-1-enyl)amino]uran-2-carboxylate
Manual Xref Database
2828701 ChemSpider
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