KEGG   COMPOUND: C17401
Entry
C17401                      Compound                               
Name
Cobalt-factor III
Formula
C43H46CoN4O16
Exact mass
933.2241
Mol weight
933.7757
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
2.1.1.151       2.1.1.272
Other DBs
PubChem: 96023754
ChEBI: 73373
KCF data

ATOM        64
            1   C8y C    36.2458  -20.7981
            2   C1y C    35.0396  -20.1553
            3   C8x C    37.4934  -20.3328
            4   N5x N    36.0279  -22.1367
            5   C1z C    34.0511  -21.1150
            6   C1b C    35.0570  -18.7936
            7   C8y C    38.7052  -20.8442
            8   C8y C    34.6778  -22.3499
            9   C1b C    32.2940  -21.5895
            10  C1a C    33.5398  -19.8500
            11  C1b C    33.8784  -18.1036
            12  C1z C    39.8768  -20.1496
            13  N4y N    38.9922  -22.1772
            14  C8y C    34.0224  -23.6022
            15  C6a C    31.4542  -20.6153
            16  C6a C    33.8956  -16.7468
            17  C1y C    40.8999  -21.0574
            18  C1b C    39.8711  -18.7707
            19  C1a C    38.5671  -19.3654
            20  C8y C    40.3481  -22.3038
            21  C8y C    34.6778  -24.8486
            22  O6a O    29.7096  -20.6177
            23  O6a O    31.5245  -19.2917
            24  O6a O    32.6393  -15.8834
            25  O6a O    35.0857  -16.0760
            26  C1b C    42.2616  -21.0517
            27  C6a C    41.0554  -18.0864
            28  C8x C    40.8596  -23.5676
            29  C8y C    34.0511  -26.0790
            30  N4y N    36.0222  -25.0503
            31  C1b C    42.9344  -19.8616
            32  O6a O    41.0554  -16.7304
            33  O6a O    42.2385  -18.7648
            34  C8y C    40.3135  -24.8256
            35  C8y C    35.0339  -27.0212
            36  C1b C    32.7125  -26.2967
            37  C8y C    36.2401  -26.4004
            38  C6a C    44.3018  -19.8500
            39  C8y C    40.9057  -26.0733
            40  N5x N    38.9633  -25.0157
            41  C1b C    35.0224  -28.3888
            42  C6a C    32.2357  -27.5662
            43  C8x C    37.4934  -26.8657
            44  O6a O    44.9735  -18.6669
            45  O6a O    44.9907  -21.0343
            46  C8y C    39.9114  -26.9983
            47  C1b C    42.2211  -25.7115
            48  C8y C    38.7167  -26.3543
            49  C1b C    33.8278  -29.0719
            50  O6a O    30.8971  -27.7967
            51  O6a O    33.0972  -28.6181
            52  C1b C    40.0439  -28.3542
            53  C6a C    43.1868  -26.6584
            54  C6a C    33.8221  -30.4451
            55  C1b C    41.2903  -28.9233
            56  O6a O    44.5024  -26.3025
            57  O6a O    42.8480  -27.9868
            58  O6a O    32.6435  -31.1178
            59  O6a O    34.9935  -31.1294
            60  C6a C    41.4171  -30.2850
            61  O6a O    40.2963  -31.0660
            62  O6a O    42.6694  -30.8413
            63  Z   Co   37.4125  -23.6605
            64  C1a C    32.6224  -23.6022
BOND        69
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 2
            7     4   8 1
            8     5   9 1 #Up
            9     5  10 1 #Down
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   12  19 1 #Down
            19   13  20 1
            20   14  21 1
            21   15  22 1
            22   15  23 2
            23   16  24 1
            24   16  25 2
            25   17  26 1 #Down
            26   18  27 1
            27   20  28 2
            28   21  29 2
            29   21  30 1
            30   26  31 1
            31   27  32 1
            32   27  33 2
            33   28  34 1
            34   29  35 1
            35   29  36 1
            36   30  37 1
            37   31  38 1
            38   34  39 1
            39   34  40 2
            40   35  41 1
            41   36  42 1
            42   37  43 1
            43   38  44 1
            44   38  45 2
            45   39  46 2
            46   39  47 1
            47   40  48 1
            48   41  49 1
            49   42  50 1
            50   42  51 2
            51   46  52 1
            52   47  53 1
            53   49  54 1
            54   52  55 1
            55   53  56 1
            56   53  57 2
            57   54  58 1
            58   54  59 2
            59   55  60 1
            60   60  61 1
            61   60  62 2
            62    5   8 1
            63   17  20 1
            64   35  37 2
            65   43  48 2
            66   46  48 1
            67   13  63 1
            68   30  63 1
            69   14  64 1

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