formyl-5-hydroxykynurenamine (CHEBI:28736)

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ChEBI Name	formyl-5-hydroxykynurenamine

ChEBI ID	CHEBI:28736

Definition	A hydroxykynurenamine that is 5-hydroxykynurenamine with the hydrogen on the aryl amine replaced by a formyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:5149, CHEBI:24091

Supplier Information

Download	Molfile XML SDF

Formula

C10H12N2O3

Net Charge

Average Mass

208.21390

Monoisotopic Mass

208.08479

InChI

InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)

InChIKey

CKAXPTWYSHDIBN-UHFFFAOYSA-N

SMILES

NCCC(=O)c1cc(O)ccc1NC=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	formyl-5-hydroxykynurenamine (CHEBI:28736) has functional parent 5-hydroxykynurenamine (CHEBI:28715) formyl-5-hydroxykynurenamine (CHEBI:28736) has role metabolite (CHEBI:25212) formyl-5-hydroxykynurenamine (CHEBI:28736) has role mouse metabolite (CHEBI:75771) formyl-5-hydroxykynurenamine (CHEBI:28736) is a hydroxykynurenamine (CHEBI:24705) formyl-5-hydroxykynurenamine (CHEBI:28736) is a primary amino compound (CHEBI:50994)

IUPAC Names

N-[2-(3-aminopropanoyl)-4-hydroxyphenyl]formamide

N-[2-(β-alanyl)-4-hydroxyphenyl]formamide

Synonyms	Sources
3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole	HMDB
6-Hydroxymelatonin	HMDB
N-(2(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide	HMDB
N-(2-(6-Hydroxy-5-methoxyindol-3-yl)ethyl)-Acetamide	HMDB

Last Modified

30 June 2022