KEGG   COMPOUND: C07547Help
Entry
C07547                      Compound                               

Name
Tubocurarine
Formula
C37H41N2O6
Exact mass
609.2965
Mol weight
609.7312
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Reaction
Pathway
Biosynthesis of alkaloids derived from shikimate pathway
Nicotinic cholinergic receptor antagonists
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C07547  Tubocurarine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Isoquinoline alkaloids
    C07547  Tubocurarine
Target-based classification of compounds [BR:br08010]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    nicotinic cholinergic receptor
     C07547  Tubocurarine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M03 MUSCLE RELAXANTS
   M03A MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
    M03AA Curare alkaloids
     M03AA02 Tubocurarine
      C07547  Tubocurarine
Major components of natural products [BR:br08323]
 Crude drugs
  Curare
   C07547  Tubocurarine
BRITE hierarchy
Other DBs
CAS: 
57-95-4
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        45
            1   C8y C    39.3400   -9.5900
            2   C1y C    38.2200  -10.2900
            3   C8y C    39.3400   -8.2600
            4   C8y C    40.5300  -10.2900
            5   N2y N    37.0300   -9.5900 #+
            6   C1x C    38.2200  -11.6200
            7   C8x C    40.5300   -7.5600
            8   C1x C    38.1500   -7.5600
            9   C8y C    41.7200   -9.5900
            10  C1x C    37.0300   -8.2600
            11  C1a C    35.9100   -8.9600
            12  C8y C    37.0300  -12.6700
            13  C8y C    41.7200   -8.2600
            14  O1a O    42.8400  -10.2900
            15  C8x C    35.9100  -12.0400
            16  C8x C    37.0300  -14.0000
            17  O2a O    42.8400   -7.5600
            18  C8x C    34.7200  -12.6700
            19  C8y C    35.9800  -14.7000
            20  C1a C    43.9600   -8.2600
            21  C8y C    34.7200  -14.0000
            22  O1a O    33.5300  -14.7000
            23  C1a C    35.9100  -10.2900
            24  O2x O    40.5300  -11.6200
            25  N1y N    41.9300  -17.1500
            26  C1y C    40.7400  -16.4500
            27  C1x C    41.9300  -18.6200
            28  C8y C    39.5500  -17.1500
            29  C1x C    42.9100  -15.5400
            30  C1x C    40.7400  -19.2500
            31  C8y C    39.5500  -18.5500
            32  C8x C    38.3600  -16.5200
            33  C8x C    41.6500  -14.0700
            34  C8x C    38.3600  -19.2500
            35  C8y C    37.1700  -17.1500
            36  C8y C    42.9100  -14.7700
            37  C8x C    41.6500  -12.6700
            38  C8y C    37.1700  -18.5500
            39  O2x O    35.9800  -16.4500
            40  C8x C    44.1000  -14.0700
            41  C8y C    42.8400  -11.9700
            42  O2a O    35.9800  -19.2500
            43  C8x C    44.1000  -12.6000
            44  C1a C    34.7200  -18.6200
            45  C1a C    43.1200  -16.4500
BOND        51
            1    21  22 1
            2     8  10 1
            3     9  13 1
            4    19  21 1
            5    23   5 1
            6     4  24 1
            7     1   2 1
            8     1   3 2
            9     1   4 1
            10    2   5 1
            11    2   6 1
            12    3   7 1
            13    3   8 1
            14    4   9 2
            15    5  10 1
            16    5  11 1
            17    6  12 1
            18    7  13 2
            19    9  14 1
            20   12  15 2
            21   12  16 1
            22   13  17 1
            23   15  18 1
            24   16  19 2
            25   17  20 1
            26   18  21 2
            27   25  26 1
            28   25  27 1
            29   26  28 1
            30   26  29 1
            31   27  30 1
            32   28  31 2
            33   28  32 1
            34   31  34 1
            35   32  35 2
            36   33  36 2
            37   33  37 1
            38   34  38 2
            39   35  39 1
            40   36  40 1
            41   37  41 2
            42   38  42 1
            43   40  43 2
            44   42  44 1
            45   30  31 1
            46   35  38 1
            47   41  43 1
            48   25  45 1
            49   24  41 1
            50   19  39 1
            51   36  29 1

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