KEGG   COMPOUND: C06320
Entry
C06320                      Compound                               
Name
Precorrin 6X;
Precorrin 6A
Formula
C44H54N4O16
Exact mass
894.3535
Mol weight
894.9168
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
1.3.1.54        2.1.1.152
Other DBs
PubChem: 8556
ChEBI: 27513
3DMET: B02010
NIKKAJI: J2.760.996A
KCF data

ATOM        64
            1   C1z C    24.9129  -17.7537
            2   C2y C    24.9129  -20.2912
            3   C1z C    24.2814  -16.5022
            4   N1x N    26.2869  -17.5373
            5   C1a C    23.5563  -18.1103
            6   C2y C    24.2814  -21.5367
            7   N2x N    26.2869  -20.4959
            8   C1y C    25.2812  -15.5259
            9   C1b C    22.9014  -16.4905
            10  C1a C    23.9188  -15.1574
            11  C2y C    26.5092  -16.1807
            12  C1z C    25.2754  -22.4956
            13  C1b C    22.9189  -21.7590
            14  C2y C    26.5032  -21.8642
            15  C1b C    25.3046  -14.1459
            16  C6a C    22.2232  -15.2861
            17  C2x C    27.7779  -15.7071
            18  C1b C    25.2637  -23.8815
            19  C1a C    26.4626  -23.3365
            20  C6a C    22.4395  -23.0571
            21  C1x C    27.7779  -22.3378
            22  C1b C    24.1176  -13.4442
            23  O6a O    20.8432  -15.2803
            24  O6a O    22.9189  -14.1050
            25  C2y C    29.0059  -16.2216
            26  C1b C    24.0591  -24.5773
            27  O6a O    21.0770  -23.2792
            28  O6a O    23.3165  -24.1154
            29  C2y C    29.0176  -21.8174
            30  C6a C    24.1293  -12.0585
            31  C1z C    30.2046  -15.5199
            32  N2x N    29.2983  -17.5781
            33  C6a C    24.0533  -25.9689
            34  C2y C    30.2280  -22.4722
            35  N2x N    29.2749  -20.4608
            36  O6a O    22.9365  -11.3568
            37  O6a O    25.3339  -11.3802
            38  C2y C    31.2337  -16.4380
            39  C1b C    30.8987  -14.4025
            40  C1a C    29.3555  -14.4691
            41  C2y C    30.6840  -17.7126
            42  O6a O    22.8487  -26.6531
            43  O6a O    25.2403  -26.6648
            44  C2y C    31.2395  -21.5310
            45  C1b C    30.3625  -23.8464
            46  C1z C    30.6431  -20.2738
            47  C1b C    32.6137  -16.4322
            48  C6a C    32.0916  -13.7068
            49  C1x C    31.1927  -18.9932
            50  C1b C    32.5726  -21.1684
            51  C1b C    31.6254  -24.4311
            52  C1a C    32.0639  -20.2553
            53  C1b C    33.2977  -15.2276
            54  O6a O    32.0916  -12.3209
            55  O6a O    33.2960  -14.3966
            56  C6a C    33.5549  -22.1331
            57  C6a C    31.7599  -25.8053
            58  C6a C    34.6836  -15.2159
            59  O6a O    34.8881  -21.7648
            60  O6a O    33.2100  -23.4780
            61  O6a O    30.6256  -26.6004
            62  O6a O    33.0288  -26.3723
            63  O6a O    35.3736  -14.0172
            64  O6a O    35.3853  -16.4205
BOND        68
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            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    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1 #Down
            15    9  16 1
            16   11  17 2
            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 1
            25   18  26 1
            26   20  27 1
            27   20  28 2
            28   21  29 1
            29   22  30 1
            30   25  31 1
            31   25  32 2
            32   26  33 1
            33   29  34 1
            34   29  35 2
            35   30  36 1
            36   30  37 2
            37   31  38 1
            38   31  39 1 #Up
            39   31  40 1 #Down
            40   32  41 1
            41   33  42 1
            42   33  43 2
            43   34  44 2
            44   34  45 1
            45   35  46 1
            46   38  47 1
            47   39  48 1
            48   41  49 1
            49   44  50 1
            50   45  51 1
            51   46  52 1 #Down
            52   47  53 1
            53   48  54 1
            54   48  55 2
            55   50  56 1
            56   51  57 1
            57   53  58 1
            58   56  59 1
            59   56  60 2
            60   57  61 1
            61   57  62 2
            62   58  63 1
            63   58  64 2
            64    8  11 1
            65   12  14 1
            66   38  41 2
            67   44  46 1
            68   46  49 1

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