4-oxo-4-[(pyridin-4-ylmethyl)amino]but-2-enoic acid (CHEBI:183697)

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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	4-oxo-4-[(pyridin-4-ylmethyl)amino]but-2-enoic acid

ChEBI ID	CHEBI:183697

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10N2O3

Net Charge

Average Mass

206.201

Monoisotopic Mass

206.06914

InChI

InChI=1S/C10H10N2O3/c13-9(1-2-10(14)15)12-7-8-3-5-11-6-4-8/h1-6H,7H2,(H,12,13)(H,14,15)

InChIKey

HMJYNRJQALRSFU-UHFFFAOYSA-N

SMILES

O=C(NCC1=CC=NC=C1)C=CC(O)=O

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-oxo-4-[(pyridin-4-ylmethyl)amino]but-2-enoic acid (CHEBI:183697) is a fatty amide (CHEBI:29348)

IUPAC Name

4-oxo-4-(pyridin-4-ylmethylamino)but-2-enoic acid