KEGG   COMPOUND: C00748Help
Entry
C00748                      Compound                               

Name
Siroheme
Formula
C42H44FeN4O16
Exact mass
916.2102
Mol weight
916.661
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00121  
Heme biosynthesis, glutamate => protoheme/siroheme
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
KCF data Show

ATOM        63
            1   C8y C    26.1460  -15.8483
            2   C1y C    24.9354  -15.2027
            3   C8x C    27.4057  -15.3830
            4   N5x N    25.9320  -17.1935
            5   C1z C    23.9459  -16.1700
            6   C1b C    24.9530  -13.8340
            7   C8y C    28.6223  -15.8950
            8   C8y C    24.5750  -17.4100
            9   C1b C    22.1757  -16.6448
            10  C1a C    23.4266  -14.8927
            11  C1b C    23.7705  -13.1405
            12  C1z C    29.7978  -15.1969
            13  N4y N    28.9136  -17.2345
            14  C8x C    23.9167  -18.6675
            15  C6a C    21.3302  -15.6627
            16  C6a C    23.7880  -11.7769
            17  C1y C    30.8296  -16.1115
            18  C1b C    29.7921  -13.8108
            19  C1a C    28.4820  -14.4077
            20  C8y C    30.2763  -17.3630
            21  C8y C    24.5750  -19.9189
            22  O6a O    22.5264  -10.9073
            23  O6a O    24.9822  -11.1029
            24  C1b C    32.1981  -16.1058
            25  C6a C    30.9874  -13.1231
            26  C8x C    30.7886  -18.6324
            27  C8y C    23.9459  -21.1541
            28  N4y N    25.9262  -20.1235
            29  C1b C    32.8741  -14.9043
            30  O6a O    30.9874  -11.7603
            31  O6a O    32.1747  -13.8049
            32  C8y C    30.2412  -19.8954
            33  C8y C    24.9296  -22.1038
            34  C1b C    22.6007  -21.3751
            35  C8y C    26.1403  -21.4805
            36  C6a C    34.2485  -14.8927
            37  C8y C    30.8354  -21.1484
            38  N5x N    28.8843  -20.0885
            39  C1b C    24.9179  -23.4782
            40  C6a C    22.1165  -22.6502
            41  C8x C    27.4057  -21.9457
            42  O6a O    34.9236  -13.7054
            43  O6a O    34.9410  -16.0881
            44  C8y C    29.8329  -22.0805
            45  C1b C    32.1571  -20.7880
            46  C8y C    28.6339  -21.4336
            47  C1b C    23.7191  -24.1648
            48  O6a O    20.7713  -22.8842
            49  O6a O    22.9842  -23.7112
            50  C1b C    29.9674  -23.4432
            51  C6a C    33.1304  -21.7425
            52  C6a C    23.7134  -25.5452
            53  C1b C    31.2188  -24.0140
            54  O6a O    34.4522  -21.3810
            55  O6a O    32.7864  -23.0772
            56  O6a O    22.5307  -26.2212
            57  O6a O    24.8885  -26.2328
            58  C6a C    31.3477  -25.3827
            59  O6a O    30.2237  -26.1686
            60  O6a O    32.6051  -25.9476
            61  Z   Fe   27.3236  -18.7267
            62  O6a O    21.7604  -14.4438
            63  O6a O    20.0612  -15.9067
BOND        68
            1     1   3 1
            2     1   4 2
            3     2   5 1
            4     2   6 1 #Down
            5     3   7 2
            6     4   8 1
            7     5   9 1 #Up
            8     5  10 1 #Down
            9     6  11 1
            10    7  12 1
            11    7  13 1
            12    8  14 2
            13    9  15 1
            14   11  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   12  19 1 #Down
            18   13  20 1
            19   14  21 1
            20   16  22 1
            21   16  23 2
            22   17  24 1 #Down
            23   18  25 1
            24   20  26 2
            25   21  27 2
            26   21  28 1
            27   24  29 1
            28   25  30 1
            29   25  31 2
            30   26  32 1
            31   27  33 1
            32   27  34 1
            33   28  35 1
            34   29  36 1
            35   32  37 1
            36   32  38 2
            37   33  39 1
            38   34  40 1
            39   35  41 1
            40   36  42 1
            41   36  43 2
            42   37  44 2
            43   37  45 1
            44   38  46 1
            45   39  47 1
            46   40  48 1
            47   40  49 2
            48   44  50 1
            49   45  51 1
            50   47  52 1
            51   50  53 1
            52   51  54 1
            53   51  55 2
            54   52  56 1
            55   52  57 2
            56   53  58 1
            57   58  59 1
            58   58  60 2
            59    5   8 1
            60   17  20 1
            61   33  35 2
            62   41  46 2
            63   44  46 1
            64   13  61 1
            65   28  61 1
            66   15  62 2
            67    1   2 1
            68   15  63 1

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