KEGG   COMPOUND: C11545
Entry
C11545                      Compound                               
Name
Cobalt-precorrin 8;
Cobalt-precorrin-8
Formula
C45H59CoN4O14
Exact mass
938.336
Mol weight
938.9016
Structure
Reaction
Pathway
map00860  Porphyrin metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00924  Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide
Enzyme
2.1.1.289       5.4.99.60
Other DBs
PubChem: 13712
ChEBI: 3795
3DMET: B05538
KCF data

ATOM        64
            1   C2y C    30.7362  -29.1699
            2   C1y C    29.5677  -28.5471
            3   C2y C    31.9448  -28.7192
            4   N1y N    30.5252  -30.4667
            5   C1z C    28.6101  -29.4769
            6   C1b C    29.5846  -27.2280
            7   C2y C    33.1188  -29.2146
            8   C1z C    29.2172  -30.6732
            9   C1b C    26.7932  -28.7091
            10  C1a C    27.6697  -26.8894
            11  C1b C    28.4428  -26.5596
            12  C1z C    34.2537  -28.5416
            13  N2x N    33.3968  -30.5059
            14  C1y C    29.2228  -33.0933
            15  C6a C    25.7773  -29.2492
            16  C6a C    28.4595  -25.2452
            17  C2y C    35.2448  -29.4211
            18  C1b C    34.2482  -27.2058
            19  C1a C    35.5068  -27.9708
            20  C2y C    34.7103  -30.6285
            21  O6a O    25.7797  -30.4652
            22  O6a O    24.4970  -28.6412
            23  O6a O    27.3302  -24.5773
            24  O6a O    29.6124  -24.5954
            25  C1b C    36.5640  -29.4156
            26  C6a C    35.3955  -26.5429
            27  C1x C    35.2058  -31.8528
            28  C1y C    28.6101  -34.2857
            29  N2x N    30.5197  -33.2891
            30  C1b C    37.2157  -28.2626
            31  O6a O    35.3955  -25.2293
            32  O6a O    36.8585  -26.5528
            33  C1z C    34.6768  -33.0715
            34  C1z C    29.5622  -35.1985
            35  C1b C    27.3133  -34.4966
            36  C2y C    30.7307  -34.5971
            37  C6a C    38.5403  -28.2515
            38  C2y C    35.2505  -34.2802
            39  N2x N    33.3688  -33.2556
            40  C1b C    29.5511  -36.5233
            41  C6a C    26.8514  -35.7264
            42  C1y C    31.9448  -35.0478
            43  O6a O    39.1911  -27.1053
            44  O6a O    39.2077  -29.3987
            45  C2y C    34.2872  -35.1763
            46  C1a C    36.5855  -34.3141
            47  C2y C    33.1299  -34.5525
            48  C1b C    28.3938  -37.1851
            49  O6a O    25.5546  -35.9498
            50  O6a O    27.6860  -36.7455
            51  C1b C    34.2874  -36.1998
            52  C6a C    28.3882  -38.5154
            53  C1b C    35.2994  -36.6703
            54  O6a O    27.2465  -39.1671
            55  O6a O    29.5231  -39.1783
            56  C6a C    35.7729  -37.8209
            57  O6a O    35.0984  -39.2383
            58  O6a O    37.2625  -37.8203
            59  Z   Co   31.8665  -31.9428 #+
            60  C1a C    30.7134  -37.3508
            61  C1a C    35.9597  -32.7183
            62  C1a C    27.4632  -31.5517
            63  C1a C    31.9718  -36.3827
            64  C1a C    31.9731  -27.3843
BOND        68
            1     4   8 1
            2     5   9 1 #Up
            3     5  10 1 #Down
            4     6  11 1
            5     7  12 1
            6     7  13 2
            7     8  14 1
            8     9  15 1
            9    11  16 1
            10   12  17 1
            11   12  18 1 #Up
            12   12  19 1 #Down
            13   13  20 1
            14   15  21 1
            15   15  22 2
            16   16  23 1
            17   16  24 2
            18   17  25 1
            19   18  26 1
            20   20  27 1
            21   14  28 1
            22   14  29 1
            23   25  30 1
            24   26  31 1
            25   26  32 2
            26   27  33 1
            27   28  34 1
            28   28  35 1 #Up
            29   29  36 2
            30   30  37 1
            31   33  38 1
            32   33  39 1
            33   34  40 1 #Down
            34   35  41 1
            35   36  42 1
            36   37  43 1
            37   37  44 2
            38   38  45 2
            39   38  46 1
            40   39  47 2
            41   40  48 1
            42   41  49 1
            43   41  50 2
            44   45  51 1
            45   48  52 1
            46   51  53 1
            47   52  54 1
            48   52  55 2
            49   53  56 1
            50   56  57 1
            51   56  58 2
            52    5   8 1
            53   17  20 2
            54   34  36 1
            55   42  47 1
            56   45  47 1
            57    1   2 1
            58    1   3 2
            59   34  60 1 #Up
            60    1   4 1
            61    2   5 1
            62   33  61 1 #Down
            63    4  59 1
            64    8  62 1 #Down
            65    2   6 1 #Down
            66   42  63 1
            67    3   7 1
            68    3  64 1

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