KEGG   COMPOUND: C06408
Entry
C06408                      Compound                               
Name
Precorrin 8X;
Precorrin 8;
Precorrin-8X
Formula
C45H60N4O14
Exact mass
880.4106
Mol weight
880.9763
Structure
Reaction
Pathway
map00860  Porphyrin metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00925  Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide
Enzyme
2.1.1.132       5.4.99.61
Other DBs
PubChem: 8643
ChEBI: 28629
3DMET: B05192
NIKKAJI: J2.763.156H
LinkDB
KCF data

ATOM        63
            1   C1z C    21.9154  -15.9574
            2   C1y C    21.9154  -18.4950
            3   C1z C    21.2780  -14.7062
            4   N2x N    23.2893  -15.7410
            5   C1a C    20.5589  -16.3141
            6   C1y C    21.2780  -19.7404
            7   N2x N    23.2835  -18.6996
            8   C1y C    22.2837  -13.7297
            9   C1b C    19.8982  -14.6945
            10  C1a C    20.9155  -13.3614
            11  C2y C    23.5116  -14.3845
            12  C1z C    22.2779  -20.6992
            13  C1b C    19.9216  -19.9625
            14  C2y C    23.4999  -20.0678
            15  C1b C    22.3013  -12.3499
            16  C6a C    19.2199  -13.4901
            17  C2y C    24.7745  -13.9110
            18  C1b C    22.2662  -22.0848
            19  C1a C    23.5993  -21.0500
            20  C6a C    19.4363  -21.2604
            21  C1y C    24.7745  -20.5413
            22  C1b C    21.1144  -11.6484
            23  O6a O    17.8460  -13.4842
            24  O6a O    19.9158  -12.3090
            25  C2y C    26.0022  -14.4256
            26  C1a C    24.7687  -12.5137
            27  C1b C    21.0559  -22.7807
            28  O6a O    18.0798  -21.4827
            29  O6a O    20.3134  -22.3188
            30  C2y C    26.0139  -20.0210
            31  C1a C    24.7687  -21.9329
            32  C6a C    21.1261  -10.2626
            33  C1z C    27.2008  -13.7240
            34  N2x N    26.2947  -15.7820
            35  C6a C    21.0501  -24.1722
            36  C2y C    27.2242  -20.6758
            37  N2x N    26.2713  -18.6645
            38  O6a O    19.9392   -9.5610
            39  O6a O    22.3305   -9.5844
            40  C1y C    28.2299  -14.6419
            41  C1b C    27.1951  -12.3266
            42  C1a C    26.0720  -12.7431
            43  C2y C    27.6803  -15.9106
            44  O6a O    19.8515  -24.8562
            45  O6a O    22.2370  -24.8679
            46  C2y C    28.2358  -19.7344
            47  C1b C    27.3646  -22.0497
            48  C1z C    27.6452  -18.4773
            49  C1b C    29.6157  -14.6360
            50  C6a C    28.3937  -11.6308
            51  C1x C    28.1949  -17.1970
            52  C1a C    29.5689  -19.7219
            53  C1b C    28.6275  -22.6345
            54  C1a C    28.9900  -18.1790
            55  C1b C    30.2997  -13.4316
            56  O6a O    28.3877  -10.2451
            57  O6a O    29.5923  -12.3207
            58  C6a C    28.7562  -24.0085
            59  C6a C    31.6854  -13.4199
            60  O6a O    27.6278  -24.8037
            61  O6a O    30.0250  -24.5756
            62  O6a O    32.3694  -12.2213
            63  O6a O    32.3811  -14.6243
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     3  10 1 #Down
            10    4  11 2
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 2
            14    8  15 1 #Down
            15    9  16 1
            16   11  17 1
            17   12  18 1 #Down
            18   12  19 1 #Up
            19   13  20 1
            20   14  21 1
            21   15  22 1
            22   16  23 1
            23   16  24 2
            24   17  25 2
            25   17  26 1
            26   18  27 1
            27   20  28 1
            28   20  29 2
            29   21  30 1
            30   21  31 1 #Down
            31   22  32 1
            32   25  33 1
            33   25  34 1
            34   27  35 1
            35   30  36 1
            36   30  37 2
            37   32  38 1
            38   32  39 2
            39   33  40 1
            40   33  41 1 #Up
            41   33  42 1 #Down
            42   34  43 2
            43   35  44 1
            44   35  45 2
            45   36  46 2
            46   36  47 1
            47   37  48 1
            48   40  49 1 #Down
            49   41  50 1
            50   43  51 1
            51   46  52 1
            52   47  53 1
            53   48  54 1 #Down
            54   49  55 1
            55   50  56 1
            56   50  57 2
            57   53  58 1
            58   55  59 1
            59   58  60 1
            60   58  61 2
            61   59  62 1
            62   59  63 2
            63    8  11 1
            64   12  14 1
            65   40  43 1
            66   46  48 1
            67   48  51 1

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