KEGG   COMPOUND: C05009
Entry
C05009                      Compound                               

Name
Heme-thiolate(P-450)
Formula
C38H37FeN6O6SR2
Structure
Other DBs
PubChem: 7492
ChEBI: 36073
KCF data

ATOM        54
            1   C8y C    35.6454  -24.4544
            2   C8x C    34.4132  -24.9336
            3   N4y N    35.7823  -23.0854
            4   C8y C    36.9459  -24.9336
            5   C8y C    33.1811  -24.4544
            6   C8y C    37.0145  -22.8116
            7   C8y C    37.7674  -23.9069
            8   C8y C    32.0174  -25.0705
            9   N5x N    32.9757  -23.1539
            10  C8x C    37.4936  -21.5794
            11  N4y N    32.9073  -20.2789
            12  C8y C    31.0591  -24.1806
            13  C8y C    31.6752  -22.9485
            14  C8y C    37.0145  -20.4158
            15  C8y C    33.0442  -18.9783
            16  C8y C    31.6067  -20.4842
            17  C8x C    31.1275  -21.7164
            18  C8y C    37.6305  -19.1837
            19  N5x N    35.7138  -20.2105
            20  C8y C    31.8805  -18.3622
            21  C8x C    34.2763  -18.2937
            22  C8y C    30.9222  -19.3205
            23  C8y C    36.6722  -18.2937
            24  C8y C    35.5084  -18.9098
            25  C2b C    31.8120  -17.0616
            26  C1a C    29.6216  -19.3205
            27  C1a C    36.6722  -16.9248
            28  C2a C    32.9757  -16.3771
            29  C2b C    38.9311  -18.9783
            30  C2a C    39.8209  -20.0735
            31  C1b C    36.9459  -26.3026
            32  C1b C    38.1097  -27.0556
            33  C6a C    38.1097  -28.4931
            34  O6a O    39.3418  -29.1776
            35  O6a O    36.8775  -29.1776
            36  C1b C    31.9490  -26.3711
            37  C1b C    30.7852  -26.9872
            38  C6a C    30.7168  -28.2878
            39  O6a O    29.5531  -28.9038
            40  O6a O    31.8805  -28.9723
            41  C1a C    29.6900  -24.2491
            42  C1a C    38.9995  -23.9753
            43  Z   Fe   34.2763  -21.7164
            44  C1b C    41.7376  -21.9217
            45  C1c C    42.9698  -21.2372
            46  N1b N    44.1334  -21.9217
            47  C5a C    42.9698  -19.8682
            48  N1b N    44.2019  -19.1837
            49  O5a O    41.8061  -19.1837
            50  C5a C    44.1334  -23.2908
            51  R   R    44.2019  -17.8146
            52  R   R    45.2971  -23.9753
            53  O5a O    42.9013  -23.9753
            54  S2a S    38.6355  -20.8829
BOND        59
            1    11  16 1
            2    13  17 2
            3    14  18 1
            4    14  19 2
            5    15  20 2
            6    15  21 1
            7    16  22 2
            8    18  23 2
            9    19  24 1
            10   20  25 1
            11   22  26 1
            12   23  27 1
            13    6   7 1
            14   12  13 1
            15   16  17 1
            16   20  22 1
            17   21  24 2
            18   23  24 1
            19   25  28 2
            20   18  29 1
            21   29  30 2
            22    1   2 2
            23    4  31 1
            24    1   3 1
            25   31  32 1
            26    1   4 1
            27   32  33 1
            28    2   5 1
            29   33  34 2
            30    3   6 1
            31   33  35 1
            32    4   7 2
            33    8  36 1
            34    5   8 1
            35   36  37 1
            36    5   9 2
            37   37  38 1
            38    6  10 2
            39   38  39 1
            40    8  12 2
            41   38  40 2
            42    9  13 1
            43   12  41 1
            44   10  14 1
            45    7  42 1
            46   11  15 1
            47   11  43 1
            48    3  43 1
            49   45  44 1 #Up
            50   45  46 1
            51   45  47 1
            52   47  48 1
            53   47  49 2
            54   46  50 1
            55   48  51 1
            56   50  52 1
            57   50  53 2
            58   44  54 1
            59   43  54 1

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