KEGG   COMPOUND: C06504Help
Entry
C06504                      Compound                               

Name
Cob(II)yrinate a,c diamide;
Cob(II)yrinate diamide;
Cob(II)yrinic acid a,c-diamide;
Cobyrinate a,c-diamide;
Cobyrinic acid a,c-diamide
Formula
C45H61CoN6O12
Exact mass
936.3679
Mol weight
936.932
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
1.16.8.1        6.3.5.11        6.6.1.2
Other DBs
PubChem: 8735
ChEBI: 27937
3DMET: B02038
KCF data Show

ATOM        64
            1   C2y C    30.6741  -29.4000
            2   C1y C    29.4923  -28.7701
            3   C2y C    31.8965  -28.9441
            4   N1y N    30.4606  -30.7116
            5   C1z C    28.5237  -29.7105
            6   C1b C    29.5093  -27.4359
            7   C2y C    33.0839  -29.4452
            8   C1z C    29.1377  -30.9205
            9   C1b C    27.0952  -28.9409
            10  C1a C    27.4429  -26.6774
            11  C1b C    28.3545  -26.7599
            12  C1z C    34.2318  -28.7646
            13  N2x N    33.3651  -30.7512
            14  C1y C    29.1434  -33.3683
            15  C5a C    25.7268  -29.4187
            16  C6a C    28.3713  -25.4304
            17  C1y C    35.2342  -29.6541
            18  C1b C    34.2262  -27.4135
            19  C1a C    35.5061  -28.1121
            20  C2y C    34.6936  -30.8753
            21  N1a N    25.7975  -30.6486
            22  O5a O    24.5000  -28.5993
            23  O6a O    27.7066  -24.2296
            24  O6a O    29.5374  -24.7732
            25  C1b C    36.5684  -29.6485
            26  C5a C    35.3866  -26.7430
            27  C2x C    35.1948  -32.1136
            28  C1y C    28.5237  -34.5743
            29  N2x N    30.4551  -33.5663
            30  C1b C    37.2276  -28.4824
            31  N1a N    35.3866  -25.4144
            32  O5a O    36.5459  -27.4078
            33  C2y C    34.6597  -33.3462
            34  C1z C    29.4867  -35.4975
            35  C1b C    27.2121  -34.7876
            36  C2y C    30.6685  -34.8892
            37  C6a C    38.5674  -28.4711
            38  C1z C    35.2400  -34.5688
            39  N2x N    33.3368  -33.5324
            40  C1b C    29.4754  -36.8375
            41  C6a C    26.7449  -36.0315
            42  C2y C    31.8965  -35.3451
            43  O6a O    39.2256  -27.3119
            44  O6a O    39.2424  -29.6315
            45  C1y C    34.2657  -35.4751
            46  C1a C    36.5902  -34.6030
            47  C2y C    33.0952  -34.8441
            48  C1b C    28.3049  -37.5068
            49  O6a O    25.4333  -36.2573
            50  O6a O    27.5891  -37.0622
            51  C1b C    34.2727  -36.7080
            52  C6a C    28.2993  -38.8523
            53  C1b C    35.6168  -37.3612
            54  O6a O    27.1445  -39.5114
            55  O6a O    29.4471  -39.5227
            56  C6a C    35.5704  -38.7636
            57  O6a O    34.7383  -39.5902
            58  O6a O    37.0020  -39.3769
            59  Z   Co   31.8173  -32.2046 #+
            60  C1a C    30.8531  -38.1982
            61  C1a C    27.9842  -31.6044
            62  C1a C    31.9238  -36.6952
            63  C1a C    31.9251  -27.5940
            64  C1a C    35.9026  -35.7308
BOND        68
            1     5   9 1 #Up
            2     5  10 1 #Down
            3     6  11 1
            4     7  12 1
            5     7  13 2
            6     8  14 1
            7     9  15 1
            8    11  16 1
            9    12  17 1
            10   12  18 1 #Up
            11   12  19 1 #Down
            12   13  20 1
            13   15  21 1
            14   15  22 2
            15   16  23 1
            16   16  24 2
            17   17  25 1 #Down
            18   18  26 1
            19   20  27 2
            20   14  28 1
            21   14  29 1
            22   25  30 1
            23   26  31 1
            24   26  32 2
            25   27  33 1
            26   28  34 1
            27   28  35 1 #Up
            28   29  36 2
            29   30  37 1
            30   33  38 1
            31   33  39 2
            32   34  40 1 #Down
            33   35  41 1
            34   36  42 1
            35   37  43 1
            36   37  44 2
            37   38  45 1
            38   38  46 1
            39   39  47 1
            40   40  48 1
            41   41  49 1
            42   41  50 2
            43   45  51 1 #Down
            44   48  52 1
            45   51  53 1
            46   52  54 1
            47   52  55 2
            48   53  56 1
            49   56  57 1
            50   56  58 2
            51    5   8 1
            52   17  20 1
            53   34  36 1
            54   42  47 2
            55   45  47 1
            56    1   2 1
            57    1   3 2
            58   34  60 1 #Up
            59    1   4 1
            60    2   5 1
            61    4  59 1
            62    8  61 1 #Down
            63    2   6 1 #Down
            64   42  62 1
            65    3   7 1
            66    3  63 1
            67    4   8 1
            68   38  64 1

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