KEGG   COMPOUND: C21835Help
Entry
C21835                      Compound                               

Name
12,18-Didecarboxysiroheme
Formula
C40H44FeN4O12
Exact mass
828.2305
Mol weight
828.642
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00847  Heme biosynthesis, archaea, siroheme => heme
Enzyme
KCF data Show

ATOM        57
            1   C8y C    17.2561  -13.4683
            2   C1y C    16.0455  -12.8227
            3   C8x C    18.5158  -13.0030
            4   N5x N    17.0421  -14.8135
            5   C1z C    15.0560  -13.7900
            6   C1b C    16.0631  -11.4540
            7   C8y C    19.7324  -13.5150
            8   C8y C    15.6851  -15.0300
            9   C1b C    13.2858  -14.2648
            10  C1a C    14.5367  -12.5127
            11  C1b C    14.8806  -10.7605
            12  C1z C    20.9079  -12.8169
            13  N4y N    20.0237  -14.8545
            14  C8x C    15.0268  -16.2875
            15  C6a C    12.4403  -13.2827
            16  C6a C    14.8981   -9.3969
            17  C1y C    21.9397  -13.7315
            18  C1b C    20.9022  -11.4308
            19  C1a C    19.5921  -12.0277
            20  C8y C    21.3864  -14.9830
            21  C8y C    15.6851  -17.5389
            22  O6a O    13.6365   -8.5273
            23  O6a O    16.0923   -8.7229
            24  C1b C    23.3082  -13.7258
            25  C6a C    22.0975  -10.7431
            26  C8x C    21.8987  -16.2524
            27  C8y C    15.0560  -18.7741
            28  N4y N    17.0363  -17.7435
            29  C1b C    23.9842  -12.5243
            30  O6a O    22.0975   -9.3803
            31  O6a O    23.2848  -11.4249
            32  C8y C    21.3513  -17.5154
            33  C8y C    16.0397  -19.7239
            34  C1a C    13.7108  -18.9952
            35  C8y C    17.2504  -19.1006
            36  C6a C    25.3586  -12.5127
            37  C8y C    21.9455  -18.7684
            38  N5x N    19.9944  -17.7085
            39  C1b C    16.0280  -21.0983
            40  C8x C    18.5158  -19.5658
            41  O6a O    26.0337  -11.3254
            42  O6a O    26.0511  -13.7081
            43  C8y C    20.9430  -19.7006
            44  C8y C    19.7440  -19.0537
            45  C1b C    14.8292  -21.7849
            46  C1b C    21.0775  -21.0633
            47  C6a C    14.8235  -23.1653
            48  C1b C    22.3289  -21.6341
            49  O6a O    13.6408  -23.8413
            50  O6a O    15.9986  -23.8529
            51  C6a C    22.4578  -23.0028
            52  O6a O    21.3338  -23.7887
            53  O6a O    23.7152  -23.5677
            54  Z   Fe   18.4337  -16.3467
            55  O6a O    12.8705  -12.0638
            56  O6a O    11.1712  -13.5267
            57  C1a C    23.3520  -19.0386
BOND        62
            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   35  40 1
            39   36  41 1
            40   36  42 2
            41   37  43 2
            42   38  44 1
            43   39  45 1
            44   43  46 1
            45   45  47 1
            46   46  48 1
            47   47  49 1
            48   47  50 2
            49   48  51 1
            50   51  52 1
            51   51  53 2
            52    5   8 1
            53   17  20 1
            54   33  35 2
            55   40  44 2
            56   43  44 1
            57   13  54 1
            58   28  54 1
            59   15  55 2
            60    1   2 1
            61   15  56 1
            62   37  57 1

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