KEGG   COMPOUND: C05773Help
Entry
C05773                      Compound                               

Name
Cobyrinate;
Cobyrinic acid;
Cob(II)yrinate;
Cob(II)yrinic acid
Formula
C45H59CoN4O14
Exact mass
938.336
Mol weight
938.9016
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
5.4.99.60       6.3.5.11
Other DBs
PubChem: 8068
ChEBI: 33907
3DMET: B01892
KCF data Show

ATOM        64
            1   C2y C    36.2090  -20.2417
            2   C1y C    35.0271  -19.6118
            3   C2y C    37.4314  -19.7858
            4   N1y N    35.9955  -21.5533
            5   C1z C    34.0586  -20.5522
            6   C1b C    35.0442  -18.2776
            7   C2y C    38.6188  -20.2869
            8   C1z C    34.6726  -21.7622
            9   C1b C    32.6301  -19.7826
            10  C1a C    32.9778  -17.5191
            11  C1b C    33.8893  -17.6016
            12  C1z C    39.7667  -19.6063
            13  N2x N    38.9000  -21.5929
            14  C1y C    34.6783  -24.2100
            15  C6a C    31.2617  -20.2604
            16  C6a C    33.9062  -16.2721
            17  C1y C    40.7691  -20.4958
            18  C1b C    39.7611  -18.2552
            19  C1a C    41.0410  -18.9538
            20  C2y C    40.2285  -21.7170
            21  O6a O    31.3324  -21.4903
            22  O6a O    30.0348  -19.4410
            23  O6a O    33.2415  -15.0713
            24  O6a O    35.0723  -15.6149
            25  C1b C    42.1033  -20.4902
            26  C6a C    40.9215  -17.5847
            27  C2x C    40.7297  -22.9553
            28  C1y C    34.0586  -25.4160
            29  N2x N    35.9899  -24.4080
            30  C1b C    42.7625  -19.3241
            31  O6a O    40.9215  -16.2561
            32  O6a O    42.0807  -18.2495
            33  C2y C    40.1946  -24.1879
            34  C1z C    35.0216  -26.3392
            35  C1b C    32.7470  -25.6293
            36  C2y C    36.2034  -25.7310
            37  C6a C    44.1023  -19.3128
            38  C1z C    40.7748  -25.4105
            39  N2x N    38.8716  -24.3742
            40  C1b C    35.0103  -27.6792
            41  C6a C    32.2798  -26.8732
            42  C2y C    37.4314  -26.1868
            43  O6a O    44.7605  -18.1536
            44  O6a O    44.7773  -20.4732
            45  C1y C    39.8006  -26.3168
            46  C1a C    42.1251  -25.4447
            47  C2y C    38.6300  -25.6858
            48  C1b C    33.8397  -28.3485
            49  O6a O    30.9682  -27.0990
            50  O6a O    33.1239  -27.9039
            51  C1b C    39.8076  -27.5497
            52  C6a C    33.8342  -29.6940
            53  C1b C    41.1516  -28.2030
            54  O6a O    32.6794  -30.3531
            55  O6a O    34.9820  -30.3644
            56  C6a C    41.1053  -29.6053
            57  O6a O    40.2731  -30.4319
            58  O6a O    42.5369  -30.2186
            59  Z   Co   37.3521  -23.0463 #+
            60  C1a C    36.2479  -28.1999
            61  C1a C    33.5191  -22.4461
            62  C1a C    37.4587  -27.5369
            63  C1a C    37.4600  -18.4358
            64  C1a C    41.4374  -26.5725
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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