KEGG   COMPOUND: C06407Help
Entry
C06407                      Compound                               

Name
Precorrin 4
Formula
C44H52N4O17
Exact mass
908.3327
Mol weight
908.9003
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Metabolic pathways
Enzyme
2.1.1.131       2.1.1.133
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        65
            1   C1z C    25.1774  -17.7105
            2   C2y C    25.1774  -20.2417
            3   C1z C    24.5475  -16.4624
            4   N1x N    26.5481  -17.4946
            5   C5a C    23.9760  -18.3812
            6   C2y C    24.5417  -21.4840
            7   N2x N    26.5422  -20.4459
            8   C1y C    25.5450  -15.4883
            9   C1b C    23.1654  -16.4507
            10  C1a C    24.1801  -15.1150
            11  C2y C    26.7696  -16.1415
            12  C1a C    24.0341  -19.7634
            13  O5a O    22.7978  -17.6871
            14  C1z C    25.5390  -22.4405
            15  C1b C    23.1887  -21.7056
            16  C2y C    26.7580  -21.8106
            17  C1b C    25.5624  -14.1119
            18  C2x C    28.0294  -15.6691
            19  C1b C    25.5273  -23.8228
            20  C1a C    26.7235  -23.4881
            21  C6a C    22.7046  -23.0003
            22  C1x C    28.0294  -22.2831
            23  C1b C    24.3784  -13.4119
            24  C2y C    29.2600  -16.1824
            25  C1b C    24.3201  -24.5168
            26  O6a O    21.3515  -23.2220
            27  O6a O    23.5794  -24.0562
            28  C8y C    29.2717  -21.7640
            29  C6a C    24.3263  -12.0298
            30  C1z C    30.4499  -15.4826
            31  N2x N    29.5517  -17.5355
            32  C6a C    24.3143  -25.9050
            33  C8y C    30.4790  -22.4172
            34  N4x N    29.5226  -20.4109
            35  O6a O    23.1364  -11.3298
            36  O6a O    25.5218  -11.3475
            37  C2y C    31.4822  -16.3983
            38  C1b C    30.9383  -14.2978
            39  C1a C    29.4631  -14.2955
            40  C2y C    30.9281  -17.6637
            41  O6a O    23.1186  -26.5873
            42  O6a O    25.4982  -26.5989
            43  C8y C    31.4822  -21.4782
            44  C1b C    30.6132  -23.7877
            45  C8y C    30.8930  -20.2242
            46  C1b C    32.8586  -16.3923
            47  C6a C    32.1280  -13.6039
            48  C1x C    31.4414  -18.9470
            49  C1b C    32.8179  -21.1165
            50  C1b C    31.8728  -24.3651
            51  C1b C    33.5411  -15.1851
            52  O6a O    32.1220  -12.2216
            53  O6a O    33.3237  -14.2921
            54  C6a C    33.7977  -22.0789
            55  C6a C    32.0012  -25.7416
            56  C6a C    34.9233  -15.1793
            57  O6a O    35.1275  -21.7114
            58  O6a O    33.4535  -23.4144
            59  O6a O    30.8756  -26.5348
            60  O6a O    33.2669  -26.3074
            61  O6a O    35.6056  -13.9836
            62  O6a O    35.6232  -16.3750
            63  C6a C    21.9548  -15.7669
            64  O6a O    20.7464  -16.4646
            65  O6a O    21.9483  -14.3719
BOND        69
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     3  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 2
            13    6  14 1
            14    6  15 1
            15    7  16 2
            16    8  17 1 #Down
            17   11  18 2
            18   14  19 1 #Down
            19   14  20 1 #Up
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   28  33 2
            33   28  34 1
            34   29  35 1
            35   29  36 2
            36   30  37 1
            37   30  38 1 #Up
            38   30  39 1 #Down
            39   31  40 1
            40   32  41 1
            41   32  42 2
            42   33  43 1
            43   33  44 1
            44   34  45 1
            45   37  46 1
            46   38  47 1
            47   40  48 1
            48   43  49 1
            49   44  50 1
            50   46  51 1
            51   47  52 1
            52   47  53 2
            53   49  54 1
            54   50  55 1
            55   51  56 1
            56   54  57 1
            57   54  58 2
            58   55  59 1
            59   55  60 2
            60   56  61 1
            61   56  62 2
            62    8  11 1
            63   14  16 1
            64   37  40 2
            65   43  45 2
            66   45  48 1
            67    9  63 1
            68   63  64 1
            69   63  65 2

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