KEGG   COMPOUND: C05080Help
Entry
C05080                      Compound                               

Name
Novobiocin
Formula
C31H36N2O11
Exact mass
612.2319
Mol weight
612.6243
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Novobiocin biosynthesis
Biosynthesis of antibiotics
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Others
   Aromatic compounds
    C05080  Novobiocin
BRITE hierarchy
Other DBs
CAS: 
303-81-1
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        44
            1   C8y C    24.9654  -13.9379
            2   C8y C    24.9654  -15.3326
            3   C8y C    23.7608  -13.2468
            4   O7x O    26.1763  -13.2278
            5   C8y C    26.1827  -16.0300
            6   C8x C    23.7608  -16.0363
            7   C8y C    22.5626  -13.9379
            8   C1a C    23.7545  -11.8710
            9   C8y C    27.4636  -13.9252
            10  C8y C    27.4063  -15.3389
            11  O1a O    26.1827  -17.4121
            12  C8x C    22.5626  -15.3326
            13  O2a O    21.3706  -13.2532
            14  O6a O    28.5855  -13.2341
            15  N1b N    29.0167  -15.9412
            16  C1y C    20.1789  -13.9441
            17  C5a C    30.2149  -15.2503
            18  C1y C    20.1789  -15.3389
            19  O2x O    18.9678  -13.2532
            20  C8y C    31.4068  -15.9412
            21  O5a O    30.2149  -13.8745
            22  C1y C    18.9678  -16.0427
            23  O1a O    21.3771  -16.0237
            24  C1z C    17.7760  -13.9441
            25  C8x C    31.4131  -17.3232
            26  C8x C    32.5923  -15.2565
            27  C1y C    17.7760  -15.3389
            28  O7a O    18.9678  -17.4247
            29  C1a C    16.9518  -12.5113
            30  C1a C    16.3495  -14.2231
            31  C8y C    32.5986  -18.0144
            32  C8x C    33.7905  -15.9349
            33  O2a O    16.5777  -16.0237
            34  C7a C    17.7696  -18.1094
            35  C8y C    33.7970  -17.3170
            36  C1b C    32.5986  -19.3964
            37  C1a C    15.1702  -16.0300
            38  N1a N    17.7634  -19.4852
            39  O6a O    16.5777  -17.4185
            40  O1a O    34.9887  -18.0017
            41  C2b C    33.7970  -20.0875
            42  C2c C    33.7970  -21.4633
            43  C1a C    34.9887  -22.1543
            44  C1a C    32.5986  -22.1543
BOND        47
            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     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 2
            14   10  15 1
            15   16  13 1 #Up
            16   15  17 1
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 2
            21   18  22 1
            22   18  23 1 #Down
            23   19  24 1
            24   20  25 1
            25   20  26 2
            26   22  27 1
            27   22  28 1 #Down
            28   24  29 1
            29   24  30 1
            30   25  31 2
            31   26  32 1
            32   27  33 1 #Up
            33   28  34 1
            34   31  35 1
            35   31  36 1
            36   33  37 1
            37   34  38 1
            38   34  39 2
            39   35  40 1
            40   36  41 1
            41   41  42 2
            42   42  43 1
            43   42  44 1
            44    7  12 1
            45    9  10 1
            46   24  27 1
            47   32  35 2

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