KEGG   COMPOUND: C00643Help
Entry
C00643                      Compound                               

Name
5-Hydroxy-L-tryptophan;
Oxitriptan
Formula
C11H12N2O3
Exact mass
220.0848
Mol weight
220.2246
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tryptophan metabolism
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Serotonergic synapse
Module
M00037  
Melatonin biosynthesis, tryptophan => serotonin => melatonin
Enzyme
1.13.11.52      1.14.16.4       2.6.1.27        4.1.1.28
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX01 Oxitriptan
      D07339  Oxitriptan (INN)
BRITE hierarchy
Other DBs
CAS: 
4350-09-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C8y C    25.4100  -15.8200
            2   C8y C    25.4100  -17.2200
            3   C8y C    26.7400  -15.4000
            4   C8x C    24.1500  -15.1200
            5   N4x N    26.6700  -17.6400
            6   C8x C    24.1500  -17.9200
            7   C8x C    27.5100  -16.5200
            8   C8y C    22.9600  -15.8200
            9   C8x C    22.9600  -17.2200
            10  O1a O    21.7700  -15.0500
            11  C1b C    27.2300  -14.0700
            12  C1c C    28.5600  -13.7900
            13  N1a N    29.5400  -14.9100
            14  C6a C    28.9800  -12.4600
            15  O6a O    30.3800  -12.1800
            16  O6a O    28.0700  -11.4100
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     6   9 2
            9     8  10 1
            10    5   7 1
            11    8   9 1
            12    3  11 1
            13   11  12 1
            14   12  13 1 #Up
            15   12  14 1
            16   14  15 1
            17   14  16 2

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