KEGG   COMPOUND: C00978
Entry
C00978                      Compound                               
Name
N-Acetylserotonin;
N-Acetyl-5-hydroxytryptamine
Formula
C12H14N2O2
Exact mass
218.1055
Mol weight
218.2518
Structure
Reaction
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00037  Melatonin biosynthesis, animals, tryptophan => serotonin => melatonin
M00936  Melatonin biosynthesis, plants, tryptophan => serotonin => melatonin
Enzyme
2.1.1.4         2.3.1.87
Other DBs
CAS: 1210-83-9
PubChem: 4227
ChEBI: 17697
PDB-CCD: ASE[PDBj]
3DMET: B00212
NIKKAJI: J125.886I
LinkDB
KCF data

ATOM        16
            1   C8y C    23.5900  -15.8200
            2   C8x C    23.5900  -17.2200
            3   C8x C    24.7800  -17.9200
            4   C8y C    25.9700  -17.2200
            5   C8y C    25.9700  -15.8200
            6   C8x C    24.7800  -15.1200
            7   N4x N    27.3000  -17.6400
            8   C8x C    28.1400  -16.5200
            9   C8y C    27.3000  -15.4000
            10  O1a O    22.3300  -15.1200
            11  C1b C    27.7200  -14.0700
            12  C1b C    29.1200  -13.7200
            13  N1b N    29.5384  -12.3840
            14  C5a C    30.9049  -12.0783
            15  C1a C    31.8520  -13.1079
            16  O5a O    31.3104  -10.7811
BOND        17
            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 1
            9     8   9 2
            10    5   9 1
            11    1  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2

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