KEGG   COMPOUND: C11538
Entry
C11538                      Compound                               
Name
Cobalt-sirohydrochlorin;
Cobalt-factor II
Formula
C42H44CoN4O16
Exact mass
919.2084
Mol weight
919.7492
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       4.99.1.3
Other DBs
PubChem: 13705
ChEBI: 3790 52491
3DMET: B05535
KCF data

ATOM        63
            1   C8y C    36.2457  -20.7980
            2   C1y C    35.0395  -20.1552
            3   C8x C    37.4933  -20.3327
            4   N5x N    36.0278  -22.1366
            5   C1z C    34.0510  -21.1149
            6   C1b C    35.0569  -18.7935
            7   C8y C    38.7051  -20.8441
            8   C8y C    34.6777  -22.3498
            9   C1b C    32.2939  -21.5894
            10  C1a C    33.5397  -19.8499
            11  C1b C    33.8783  -18.1035
            12  C1z C    39.8767  -20.1495
            13  N4y N    38.9921  -22.1771
            14  C8x C    34.0223  -23.6021
            15  C6a C    31.4541  -20.6152
            16  C6a C    33.8955  -16.7467
            17  C1y C    40.8998  -21.0573
            18  C1b C    39.8710  -18.7706
            19  C1a C    38.5670  -19.3653
            20  C8y C    40.3480  -22.3037
            21  C8y C    34.6777  -24.8485
            22  O6a O    29.7095  -20.6176
            23  O6a O    31.5244  -19.2916
            24  O6a O    32.6392  -15.8833
            25  O6a O    35.0856  -16.0759
            26  C1b C    42.2615  -21.0516
            27  C6a C    41.0553  -18.0863
            28  C8x C    40.8595  -23.5675
            29  C8y C    34.0510  -26.0789
            30  N4y N    36.0221  -25.0502
            31  C1b C    42.9342  -19.8615
            32  O6a O    41.0553  -16.7303
            33  O6a O    42.2384  -18.7647
            34  C8y C    40.3134  -24.8255
            35  C8y C    35.0338  -27.0211
            36  C1b C    32.7124  -26.2966
            37  C8y C    36.2400  -26.4003
            38  C6a C    44.3016  -19.8499
            39  C8y C    40.9056  -26.0732
            40  N5x N    38.9632  -25.0156
            41  C1b C    35.0223  -28.3887
            42  C6a C    32.2356  -27.5661
            43  C8x C    37.4933  -26.8656
            44  O6a O    44.9733  -18.6668
            45  O6a O    44.9905  -21.0342
            46  C8y C    39.9113  -26.9982
            47  C1b C    42.2210  -25.7114
            48  C8y C    38.7166  -26.3542
            49  C1b C    33.8277  -29.0718
            50  O6a O    30.8970  -27.7966
            51  O6a O    33.0971  -28.6180
            52  C1b C    40.0438  -28.3541
            53  C6a C    43.1866  -26.6583
            54  C6a C    33.8220  -30.4450
            55  C1b C    41.2902  -28.9232
            56  O6a O    44.5022  -26.3024
            57  O6a O    42.8478  -27.9867
            58  O6a O    32.6434  -31.1177
            59  O6a O    34.9934  -31.1293
            60  C6a C    41.4170  -30.2849
            61  O6a O    40.2962  -31.0659
            62  O6a O    42.6692  -30.8412
            63  Z   Co   37.4124  -23.6604
BOND        68
            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

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