KEGG   COMPOUND: C12032Help
Entry
C12032                      Compound                               

Name
Clorobiocin;
Chlorobiocin
Formula
C35H37ClN2O11
Exact mass
696.2086
Mol weight
697.1281
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Novobiocin biosynthesis
Biosynthesis of antibiotics
Other DBs
CAS: 
39868-96-7
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        49
            1   N1b N    29.5182  -16.1987
            2   C5a C    30.7102  -15.5113
            3   C8y C    31.8959  -16.1987
            4   O5a O    30.7102  -14.1427
            5   C8x C    31.9021  -17.5735
            6   C8x C    33.0752  -15.5176
            7   C8y C    33.0815  -18.2610
            8   C8x C    34.2672  -16.1924
            9   C8y C    34.2736  -17.5673
            10  C1b C    33.0815  -19.6359
            11  O1a O    35.4591  -18.2484
            12  C2b C    34.2736  -20.3234
            13  C2c C    34.2736  -21.6920
            14  C1a C    35.4591  -22.3793
            15  C1a C    33.0815  -22.3793
            16  C8y C    28.2570  -15.5101
            17  C8x C    18.2585  -21.0663
            18  C8y C    18.7282  -19.6322
            19  N4x N    17.5041  -18.7420
            20  C8y C    16.2801  -19.6322
            21  C8x C    16.7496  -21.0663
            22  C8y C    25.8989  -14.1164
            23  C8y C    25.8989  -15.5038
            24  C8y C    24.7005  -13.4289
            25  O7x O    27.1035  -13.4100
            26  C8y C    27.1099  -16.1976
            27  C8x C    24.7005  -16.2038
            28  C8y C    23.5086  -14.1164
            29  C8y C    28.3144  -14.1038
            30  O1a O    27.1099  -17.5724
            31  C8x C    23.5086  -15.5038
            32  O2a O    22.3229  -13.4353
            33  O6a O    29.5001  -13.4162
            34  C1y C    21.1373  -14.1226
            35  C1y C    21.1373  -15.5101
            36  O2x O    19.9326  -13.4353
            37  C1y C    19.9326  -16.2102
            38  O1a O    22.3293  -16.1913
            39  C1z C    18.7470  -14.1226
            40  C1y C    18.7470  -15.5101
            41  O7a O    19.9326  -17.5850
            42  C1a C    17.9271  -12.6973
            43  C1a C    17.3279  -14.4001
            44  O2a O    17.5549  -16.1913
            45  C1a C    16.1548  -16.1976
            46  X   Cl   24.6989  -12.0473
            47  C7a C    19.9212  -18.9562
            48  O6a O    21.1033  -19.6516
            49  C1a C    14.8444  -19.1678
BOND        53
            1    12  13 2
            2    13  14 1
            3    13  15 1
            4     8   9 2
            5     1  16 1
            6     1   2 1
            7     2   3 1
            8     2   4 2
            9     3   5 1
            10    3   6 2
            11   17  18 2
            12   18  19 1
            13   19  20 1
            14   20  21 2
            15   21  17 1
            16    5   7 2
            17    6   8 1
            18   22  23 2
            19   22  24 1
            20   22  25 1
            21   23  26 1
            22   23  27 1
            23   24  28 2
            24   25  29 1
            25   26  16 2
            26   26  30 1
            27   27  31 2
            28   28  32 1
            29   29  33 2
            30   34  32 1 #Up
            31   34  35 1
            32   34  36 1
            33   35  37 1
            34   35  38 1 #Down
            35   36  39 1
            36   37  40 1
            37   37  41 1 #Down
            38   39  42 1
            39   39  43 1
            40   40  44 1 #Up
            41   44  45 1
            42   28  31 1
            43   29  16 1
            44   39  40 1
            45    7   9 1
            46   24  46 1
            47    7  10 1
            48   41  47 1
            49   47  18 1
            50    9  11 1
            51   47  48 2
            52   10  12 1
            53   20  49 1

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