CHEBI:28736 - formyl-5-hydroxykynurenamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
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.
View more via ChEBI Ontology
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)
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
Manual Xrefs Databases
C05647 KEGG COMPOUND
HMDB0012948 HMDB
View more database links
Citations Waiting for Citations Types Sources
12527034 PubMed citation Europe PMC
14599659 PubMed citation Europe PMC
15356035 PubMed citation Europe PMC
Last Modified
27 January 2016