EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2198 - 6-hydroxymelatonin

ChEBI IDCHEBI:2198
ChEBI Name6-hydroxymelatonin
Stars
DefinitionA member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.
Last Modified27 January 2016
DownloadsMolfile
FormulaC13H16N2O3
Net Charge0
Average Mass248.282
Monoisotopic Mass248.11609
SMILESCOc1cc2c(CCNC(C)=O)cnc2cc1O
InChIInChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
InChIKeyOMYMRCXOJJZYKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
6-hydroxymelatonin (CHEBI:2198) has functional parent melatonin (CHEBI:16796)
6-hydroxymelatonin (CHEBI:2198) has role metabolite (CHEBI:25212)
6-hydroxymelatonin (CHEBI:2198) has role mouse metabolite (CHEBI:75771)
6-hydroxymelatonin (CHEBI:2198) is a acetamides (CHEBI:22160)
6-hydroxymelatonin (CHEBI:2198) is a tryptamines (CHEBI:27162)
IUPAC Name 
N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonym  Source
Lopac-H-0627HMDB
Manual XrefsDatabases
C05643KEGG COMPOUND
HMDB0004081HMDB
Registry NumbersSources
Reaxys:483231Reaxys
CAS:2208-41-5KEGG COMPOUND
CAS:2208-41-5ChemIDplus
Citations