KEGG   COMPOUND: C01598Help
Entry
C01598                      Compound                               

Name
Melatonin;
N-Acetyl-5-methoxytryptamine
Formula
C13H16N2O2
Exact mass
232.1212
Mol weight
232.2783
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: D08170
Reaction
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04713  Circadian entrainment
Module
M00037  Melatonin biosynthesis, 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
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melatonin
    MTNR1
     D08170  Melatonin
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08170
BRITE hierarchy
Other DBs
CAS: 73-31-4
PubChem: 4752
ChEBI: 16796
ChEMBL: CHEMBL45
PDB-CCD: ML1[PDBj]
3DMET: B00330
NIKKAJI: J5.258B
KCF data Show

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

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