COMPOUND: C12472


Entry
C12472                      Compound                               
Name
Novclobiocin 105
Formula
C28H30ClNO10
Exact mass
575.1558
Mol weight
575.9915
Structure
Reaction
R06773 R06774
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Glycosides [BR:br08021]
 O-glycosides
  Coumarin glycosides
   C12472  Novclobiocin 105
Other DBs
PubChem: 582862
ChEBI: 31922
NIKKAJI: J2.783.683F
KCF data

ATOM        40
            1   C5a C    29.5227  -15.4232
            2   C8y C    30.7290  -16.1275
            3   O5a O    29.5227  -14.0269
            4   C8x C    30.7347  -17.5296
            5   C8x C    31.9366  -15.4290
            6   C8y C    31.9424  -18.2271
            7   C8x C    33.1487  -16.1218
            8   C8y C    33.1546  -17.5238
            9   C1b C    31.9424  -19.6221
            10  O1a O    34.3609  -18.2084
            11  C2b C    33.1546  -20.3268
            12  C2c C    33.1546  -21.7229
            13  C1a C    34.3609  -22.4203
            14  C1a C    31.9424  -22.4203
            15  N1b N    28.2954  -16.1326
            16  O2a O    20.8356  -13.4638
            17  C1y C    19.6504  -14.1470
            18  C1y C    19.6504  -15.5326
            19  O2x O    18.4476  -13.4638
            20  C1y C    18.4476  -16.2348
            21  O1a O    20.6024  -16.3580
            22  C1z C    17.2695  -14.1470
            23  C1y C    17.2695  -15.5326
            24  O1a O    18.4476  -17.6087
            25  C1a C    16.4426  -12.7197
            26  C1a C    15.8477  -14.4241
            27  O1a O    16.0711  -16.2175
            28  C8y C    24.4090  -14.1413
            29  C8y C    24.4090  -15.5268
            30  C8y C    23.2050  -13.4579
            31  O7x O    25.6117  -13.4405
            32  C8y C    25.6176  -16.2232
            33  C8x C    23.2050  -16.2289
            34  C8y C    22.0139  -14.1413
            35  X   Cl   23.2693  -12.0898
            36  C8y C    26.8202  -14.1297
            37  C8y C    26.8319  -15.5326
            38  O1a O    25.6176  -17.5971
            39  C8x C    22.0139  -15.5268
            40  O6a O    28.0056  -13.4463
BOND        43
            1     9  11 1
            2    11  12 2
            3    12  13 1
            4    12  14 1
            5     7   8 2
            6     1  15 1
            7     1   2 1
            8     1   3 2
            9     2   4 1
            10    2   5 2
            11    4   6 2
            12    5   7 1
            13    6   8 1
            14    6   9 1
            15    8  10 1
            16   17  18 1
            17   17  19 1
            18   18  20 1
            19   18  21 1 #Down
            20   19  22 1
            21   20  23 1
            22   20  24 1 #Down
            23   22  25 1
            24   22  26 1
            25   23  27 1 #Up
            26   22  23 1
            27   17  16 1 #Up
            28   28  29 2
            29   28  30 1
            30   28  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 2
            34   30  35 1
            35   31  36 1
            36   32  37 2
            37   32  38 1
            38   33  39 2
            39   34  16 1
            40   36  40 2
            41   37  15 1
            42   34  39 1
            43   36  37 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (17)   
   KEGG GENES (17)   
All databases (24)   

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