melatonin





Chemical Formula:
C13H16N2O2
Molecular Weight:
232.282 Daltons
Monoisotopic Mass:
232.1211777682 Daltons
SMILES:
CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))
InChI:
1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

Synonyms
  • N-acetyl-5-methoxy-tryptamine
  • N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
  • 5-methoxy-N-acetyltryptamine

Databases
RefMet:  Melatonin
MetaboLights:  MTBLC16796
HMDB:  HMDB01389
DRUGBANK:  DB01065
ChemSpider:  872
PubChem (CID):  896
KEGG:  C01598
ChEBI:  16796
CAS:  73-31-4
Reactome:  209934
Seed:  cpd01124
MetaNetX:  MNXM1114