KEGG   COMPOUND: C01598
Entry
C01598                      Compound                               
Name
Melatonin;
N-Acetyl-5-methoxytryptamine
Formula
C13H16N2O2
Exact mass
232.1212
Mol weight
232.2783
Structure
Remark
Same as: D08170
Reaction
R03130 R03628 R03629
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04080  Neuroactive ligand-receptor interaction
map04713  Circadian entrainment
Module
M00037  Melatonin biosynthesis, animals, tryptophan => serotonin => melatonin
M00936  Melatonin biosynthesis, plants, tryptophan => serotonin => melatonin
Enzyme
1.13.11.52      1.14.14.1       2.1.1.4
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Other hormones
   Melatonin
    C01598  Melatonin
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C01598  Melatonin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CH Melatonin receptor agonists
     N05CH01 Melatonin
      D08170  Melatonin (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D08170  Melatonin (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01589  Melatonin receptor agonist
   D08170  Melatonin
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D08170  Melatonin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melatonin
    MTNR1
     D08170  Melatonin (JAN) <JP>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08170
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08170
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08170
Other DBs
CAS: 73-31-4
PubChem: 4752
ChEBI: 16796
PDB-CCD: ML1[PDBj]
3DMET: B00330
NIKKAJI: J5.258B
KCF data

ATOM        17
            1   C8x C    14.8400  -17.9900
            2   C8y C    14.8400  -16.5900
            3   C8x C    16.0300  -15.8900
            4   C8y C    17.2200  -16.5900
            5   C8y C    17.2200  -17.9900
            6   C8x C    16.0300  -18.6900
            7   C8y C    18.5500  -16.1700
            8   C8x C    19.3900  -17.2900
            9   N4x N    18.5500  -18.4800
            10  O2a O    13.5800  -15.8900
            11  C1a C    12.3900  -16.5900
            12  C1b C    18.9780  -14.8370
            13  C1b C    20.3381  -14.5430
            14  N1b N    20.7644  -13.2167
            15  C5a C    22.1544  -12.9163
            16  C1a C    22.5687  -11.6239
            17  O5a O    23.0957  -13.9540
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2

» Japanese version

  All links  
Pathway (7)   
   KEGG PATHWAY (5)   
   KEGG MODULE (2)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (21)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (14)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (6)   
   KEGG ENZYME (3)   
   KEGG REACTION (3)   
Gene (4105)   
   KEGG GENES (4105)   
All databases (4140)   

Download RDF
DBGET integrated database retrieval system