KEGG   COMPOUND: C22173
Entry
C22173                      Compound                               
Name
Harderoheme III
Formula
C35H34FeN4O6
Exact mass
662.1828
Mol weight
662.5127
Structure
Reaction
Enzyme
Other DBs
PubChem: 405226364
PDB-CCD: VOV[PDBj]
KCF data

ATOM        46
            1   C8y C    18.5340  -17.9643
            2   C8y C    19.7692  -18.5819
            3   C8x C    17.3675  -18.4447
            4   N4y N    18.8084  -16.5920
            5   C8y C    20.7298  -17.6899
            6   C1b C    19.7692  -19.9542
            7   C8y C    16.1323  -17.9643
            8   C8y C    20.1122  -16.4547
            9   C1a C    22.0335  -17.6899
            10  C1b C    20.9356  -20.5719
            11  C8y C    14.8972  -18.6506
            12  N5x N    15.9265  -16.6606
            13  C8x C    20.6612  -15.2196
            14  C6a C    20.8671  -21.9443
            15  C8y C    13.9365  -17.6899
            16  C1b C    14.8972  -19.9542
            17  C8y C    14.5542  -16.4547
            18  C8y C    20.1808  -13.9158
            19  O6a O    22.0335  -22.6304
            20  O6a O    19.7006  -22.6304
            21  C1a C    12.6327  -17.6899
            22  C1b C    16.1323  -20.6405
            23  C8x C    13.9365  -15.2196
            24  C8y C    20.7298  -12.7493
            25  N5x N    18.8084  -13.8472
            26  C6a C    16.1323  -21.9443
            27  C8y C    14.5542  -13.9844
            28  C8y C    19.7006  -11.8572
            29  C1b C    22.0335  -12.6807
            30  C8y C    18.5340  -12.4748
            31  O6a O    17.2989  -22.6304
            32  O6a O    14.9658  -22.6304
            33  N4y N    15.9265  -13.7786
            34  C8y C    13.9365  -12.7493
            35  C1a C    19.7006  -10.4848
            36  C1b C    22.7198  -11.5141
            37  C8x C    17.3675  -11.9945
            38  C8y C    16.1323  -12.4748
            39  C8y C    14.8972  -11.8572
            40  C1a C    12.6327  -12.7493
            41  C6a C    24.0921  -11.5141
            42  C2b C    14.8972  -10.4848
            43  O6a O    24.7097  -10.3477
            44  O6a O    24.7097  -12.6807
            45  Z   Fe   17.2302  -15.2882
            46  C2a C    16.0859   -9.7986
BOND        51
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    8  13 2
            13   10  14 1
            14   11  15 2
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   17  23 2
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   27  34 2
            34   28  35 1
            35   29  36 1
            36   30  37 2
            37   33  38 1
            38   34  39 1
            39   34  40 1
            40   36  41 1
            41   39  42 1
            42   41  43 1
            43   41  44 2
            44    5   8 1
            45   15  17 1
            46   28  30 1
            47   37  38 1
            48   38  39 2
            49   33  45 1
            50   45   4 1
            51   42  46 2

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