KEGG   COMPOUND: C11539Help
Entry
C11539                      Compound                               

Name
Cobalt-precorrin 3
Formula
C43H48CoN4O16
Exact mass
935.2397
Mol weight
935.7916
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
Other DBs
PubChem: 13706
ChEBI: 3791
3DMET: B05536
KCF data Show

ATOM        64
            1   C2y C    17.3867  -13.7042
            2   C1y C    16.1867  -13.0646
            3   C2x C    18.6280  -13.2413
            4   N1y N    17.1700  -15.0361
            5   C1z C    15.2032  -14.0195
            6   C1b C    16.2040  -11.7099
            7   C2y C    19.8337  -13.7501
            8   C2y C    15.8267  -15.2481
            9   C1b C    13.6143  -14.2492
            10  C1a C    14.6945  -12.7610
            11  C1b C    15.0314  -11.0234
            12  C1z C    20.9993  -13.0590
            13  N2x N    20.1192  -15.0763
            14  C2y C    15.1746  -16.4941
            15  C6a C    12.7026  -13.1414
            16  C6a C    15.0485   -9.6735
            17  C1y C    22.0172  -13.9622
            18  C1b C    20.9937  -11.6871
            19  C1a C    19.4401  -11.9672
            20  C2y C    21.4682  -15.2023
            21  C8y C    15.8267  -17.7341
            22  O6a O    11.1816  -13.1439
            23  O6a O    12.6341  -11.6861
            24  O6a O    14.0273   -8.6413
            25  O6a O    16.1772   -8.4314
            26  C1b C    23.3720  -13.9565
            27  C6a C    22.1719  -11.0063
            28  C2x C    21.9771  -16.4597
            29  C8y C    15.2032  -18.9583
            30  N4x N    17.1643  -17.9348
            31  C1b C    24.0413  -12.7724
            32  O6a O    22.1719   -9.6572
            33  O6a O    23.3490  -11.6813
            34  C8y C    21.4338  -17.7112
            35  C8y C    16.1810  -19.8957
            36  C1b C    13.8714  -19.1749
            37  C8y C    17.3811  -19.2781
            38  C6a C    25.4017  -12.7610
            39  C8y C    22.0230  -18.9526
            40  N4y N    20.0905  -17.9004
            41  C1b C    16.1696  -21.2563
            42  C6a C    13.3970  -20.4379
            43  C1x C    18.6280  -19.7410
            44  O6a O    26.0700  -11.5839
            45  O6a O    26.0872  -13.9392
            46  C8y C    21.0337  -19.8729
            47  C1b C    23.3317  -18.5926
            48  C8y C    19.8451  -19.2322
            49  C1b C    14.9810  -21.9359
            50  O6a O    12.0652  -20.6673
            51  O6a O    14.2542  -21.4845
            52  C1b C    21.1655  -21.2219
            53  C6a C    24.2924  -19.5347
            54  C6a C    14.9754  -23.3022
            55  C1b C    22.4056  -21.7882
            56  O6a O    25.6013  -19.1807
            57  O6a O    23.9554  -20.8564
            58  O6a O    13.8027  -23.9715
            59  O6a O    16.1408  -23.9830
            60  C6a C    22.5318  -23.1430
            61  O6a O    21.4167  -23.9200
            62  O6a O    23.7777  -23.6964
            63  Z   Co   18.5475  -16.5521
            64  C1a C    13.8034  -16.4954
BOND        69
            1     1   3 2
            2     1   4 1
            3     2   5 1
            4     2   6 1 #Down
            5     3   7 1
            6     4   8 1
            7     5   9 1 #Up
            8     5  10 1 #Down
            9     6  11 1
            10    7  12 1
            11    7  13 2
            12    8  14 2
            13    9  15 1
            14   11  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   12  19 1 #Down
            18   13  20 1
            19   14  21 1
            20   15  22 1
            21   15  23 2
            22   16  24 1
            23   16  25 2
            24   17  26 1 #Down
            25   18  27 1
            26   20  28 2
            27   21  29 2
            28   21  30 1
            29   26  31 1
            30   27  32 1
            31   27  33 2
            32   28  34 1
            33   29  35 1
            34   29  36 1
            35   30  37 1
            36   31  38 1
            37   34  39 2
            38   34  40 1
            39   35  41 1
            40   36  42 1
            41   37  43 1
            42   38  44 1
            43   38  45 2
            44   39  46 1
            45   39  47 1
            46   40  48 1
            47   41  49 1
            48   42  50 1
            49   42  51 2
            50   46  52 1
            51   47  53 1
            52   49  54 1
            53   52  55 1
            54   53  56 1
            55   53  57 2
            56   54  58 1
            57   54  59 2
            58   55  60 1
            59   60  61 1
            60   60  62 2
            61    5   8 1
            62   17  20 1
            63   35  37 2
            64   43  48 1
            65   46  48 2
            66    1   2 1
            67   14  64 1
            68   40  63 1
            69   63   4 1

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