KEGG   COMPOUND: C00210Help
Entry
C00210                      Compound                               

Name
Cobamide
Formula
C53H79CoN11O14P(R1)(R2)
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Cobamide coenzyme [CPD:C00194] (R1 = adenosyl group, R2 = dimethylbenzimidazolyl group)
Methylcobalamin [CPD:C06453] (R1 = CH3, R2 = dimethylbenzimidazolyl group)
Co-Methyl-5-hydroxybenzimidazolylcobamide [CPD:C04665] (R1 = CH3, R2 = 5-hydroxybenzimidazolyl group)
Other DBs
CAS: 14709-02-5
PubChem: 3510
ChEBI: 3796
LinkDB All DBs
KCF data Show

ATOM        82
            1   Z   Co   19.3466  -11.6347 #+
            2   N2x N    18.0176  -10.3735
            3   N1y N    18.0176  -13.0312
            4   N2x N    20.7204  -10.4185
            5   N2x N    20.6904  -13.0011
            6   C1z C    16.7941  -10.5685
            7   C2y C    18.2354   -9.1573
            8   C1y C    16.7941  -12.8509
            9   C2y C    18.2203  -14.2548
            10  C2y C    20.4576   -9.1947
            11  C2y C    21.9666  -10.5311
            12  C2y C    20.4727  -14.2097
            13  C2y C    21.9366  -12.8359
            14  C1z C    16.2308   -9.4499
            15  C1a C    15.5777  -10.8990
            16  C1y C    17.1243   -8.5790
            17  C2y C    19.3540   -8.7369
            18  C1y C    16.2308  -13.9545
            19  C1z C    17.1243  -14.8330
            20  C2y C    19.3540  -14.6902
            21  C1z C    21.5388   -8.5790
            22  C1y C    22.4622   -9.3974
            23  C2x C    22.4247  -11.6798
            24  C1y C    21.5538  -14.8030
            25  C1z C    22.4622  -13.9545
            26  C1b C    13.3822   -9.4425
            27  C1a C    15.9005   -8.2413
            28  C1b C    17.1468   -7.3404
            29  C1a C    19.3466   -7.4830
            30  C1b C    14.8945  -14.0821
            31  C1b C    16.7593  -17.0442
            32  C1a C    18.0231  -17.5907
            33  C1a C    19.3466  -15.9290
            34  C1b C    21.5312   -7.3254
            35  C1a C    20.1274   -6.2264
            36  C1b C    23.7084   -9.3900
            37  C1b C    21.6814  -16.0416
            38  C1a C    23.6633  -13.6393
            39  C1a C    22.9200  -15.1256
            40  C1y C    15.8686  -25.9158
            41  C5a C    12.7741   -8.3689
            42  C1b C    16.0808   -6.7173
            43  C5a C    14.4590  -15.2308
            44  C1b C    15.5381  -17.3873
            45  C5a C    22.6048   -6.7023
            46  C1b C    24.3091   -8.3088
            47  C1b C    23.1575  -16.4121
            48  C1y C    15.5007  -24.7447
            49  O2x O    14.8099  -26.5165
            50  N1a N    11.5353   -8.3539
            51  O5a O    13.3972   -7.3027
            52  C5a C    16.0958   -5.4711
            53  N1a N    13.2354  -15.4335
            54  O5a O    15.2400  -16.1768
            55  C5a C    15.5307  -18.6336
            56  N1a N    22.5974   -5.4561
            57  O5a O    23.6860   -7.3178
            58  C5a C    25.5553   -8.3014
            59  C5a C    23.5577  -17.7833
            60  C1y C    14.2695  -24.7297
            61  O1a O    16.2289  -23.7687
            62  C1y C    13.8941  -25.8858
            63  N1a N    15.0223   -4.8477
            64  O5a O    17.1768   -4.8628
            65  N1b N    14.4571  -19.2567
            66  O5a O    16.5893  -19.2643
            67  N1a N    26.1710   -7.2202
            68  O5a O    26.1858   -9.3824
            69  N1a N    22.5442  -18.4966
            70  O5a O    24.6987  -18.3015
            71  O2b O    13.5636  -23.7312
            72  C1b C    12.6403  -26.3062
            73  C1b C    14.4571  -20.5406
            74  P1b P    12.2048  -23.1306
            75  O1a O    12.3851  -27.5975
            76  C1c C    13.3385  -21.1861
            77  O2b O    13.3459  -22.4700
            78  O1c O    11.0638  -22.4700 #-
            79  O1c O    11.2739  -24.0615
            80  C1a C    12.2349  -20.5406
            81  Z   R#   24.4089  -11.0624
            82  Z   R#   17.2209  -25.5535
BOND        87
            1     1   3 1
            2     2   6 1
            3     2   7 2
            4     3   8 1
            5     3   9 1
            6     4  10 1
            7     4  11 2
            8     5  12 2
            9     5  13 1
            10    6  14 1
            11    6  15 1 #Down
            12    7  16 1
            13    7  17 1
            14    8  18 1
            15    9  19 1
            16    9  20 2
            17   10  21 1
            18   11  22 1
            19   11  23 1
            20   12  24 1
            21   13  25 1
            22   14  26 1 #Up
            23   14  27 1 #Down
            24   16  28 1 #Down
            25   17  29 1
            26   18  30 1 #Up
            27   19  31 1 #Down
            28   19  32 1 #Up
            29   20  33 1
            30   21  34 1 #Up
            31   21  35 1 #Down
            32   22  36 1 #Down
            33   24  37 1 #Down
            34   25  38 1
            35   25  39 1
            36   26  41 1
            37   28  42 1
            38   30  43 1
            39   31  44 1
            40   34  45 1
            41   36  46 1
            42   37  47 1
            43   40  48 1
            44   40  49 1
            45   41  50 1
            46   41  51 2
            47   42  52 1
            48   43  53 1
            49   43  54 2
            50   44  55 1
            51   45  56 1
            52   45  57 2
            53   46  58 1
            54   47  59 1
            55   48  60 1
            56   48  61 1 #Up
            57   62  49 1
            58   52  63 1
            59   52  64 2
            60   55  65 1
            61   55  66 2
            62   58  67 1
            63   58  68 2
            64   59  69 1
            65   59  70 2
            66   60  71 1 #Up
            67   62  72 1 #Down
            68   65  73 1
            69   71  74 1
            70   72  75 1
            71   73  76 1
            72   74  77 1
            73   74  78 1
            74   74  79 2
            75   76  80 1 #Down
            76    6   8 1
            77   10  17 2
            78   12  20 1
            79   13  23 2
            80   14  16 1
            81   18  19 1
            82   21  22 1
            83   24  25 1
            84   60  62 1
            85   76  77 1
            86    1  81 1
            87   40  82 1 #Up

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