KEGG   COMPOUND: C00194Help
Entry
C00194                      Compound                               

Name
Cobamide coenzyme;
Adenosylcobalamin;
Adenosylcob(III)alamin;
Deoxyadenosylcobalamin;
Cobamamide;
Vitamin B12 coenzyme;
5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;
(5'-Deoxy-5'-adenosyl)cobamide coenzyme;
(5,6-Dimethylbenzimidazolyl)cobamide coenzyme;
alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme;
5'-Deoxy-5'-adenosylcobalamin;
5'-Deoxy-5'-adenosyl vitamin B12;
5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide;
5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide;
Calomide;
Cobalamin coenzyme;
Coenzyme B12;
DMBC coenzyme;
Dibencozide;
Funacomide
Formula
C72H100CoN18O17P
Exact mass
1578.6583
Mol weight
1579.5818
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Coordination compound
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Metabolic pathways
Module
M00122  
Cobalamin biosynthesis, cobinamide => cobalamin
Enzyme
2.5.1.17        2.7.8.26        3.1.3.73
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and Cofactors
  Cofactors
   Coenzymes
    C00194  Cobamamide
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B03 ANTIANEMIC PREPARATIONS
   B03B VITAMIN B12 AND FOLIC ACID
    B03BA Vitamin B12 (cyanocobalamin and analogues)
     B03BA04 Cobamamide
      D00042  Cobamamide (JAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3136  Vitamin B12 preparations
     D00042  Cobamamide (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
13870-90-1
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        109
            1   Z   Co   19.1366  -15.4147 #+
            2   N2x N    17.8076  -14.1535
            3   N1y N    17.8076  -16.8112
            4   N2x N    20.5104  -14.1985
            5   N2x N    20.4804  -16.7811
            6   N5x N    21.2504  -25.5382
            7   C1z C    16.5841  -14.3485
            8   C2y C    18.0254  -12.9373
            9   C1y C    16.5841  -16.6309
            10  C2y C    18.0103  -18.0348
            11  C2y C    20.2476  -12.9747
            12  C2y C    21.7566  -14.3111
            13  C2y C    20.2627  -17.9897
            14  C2y C    21.7266  -16.6159
            15  C8y C    22.4141  -25.9061
            16  C8x C    20.5371  -26.5293
            17  C1z C    16.0208  -13.2299
            18  C1a C    15.3677  -14.6790
            19  C1y C    16.9143  -12.3590
            20  C2y C    19.1440  -12.5169
            21  C1y C    16.0208  -17.7345
            22  C1z C    16.9143  -18.6130
            23  C2y C    19.1440  -18.4702
            24  C1z C    21.3288  -12.3590
            25  C1y C    22.2522  -13.1774
            26  C2x C    22.2147  -15.4598
            27  C1y C    21.3438  -18.5830
            28  C1z C    22.2522  -17.7345
            29  C8y C    22.4065  -27.1299
            30  C8x C    23.4652  -25.3055
            31  N4y N    21.2504  -27.5127
            32  C1b C    13.1722  -13.2225
            33  C1a C    15.6905  -12.0213
            34  C1b C    16.9368  -11.1204
            35  C1a C    19.1366  -11.2630
            36  C1b C    14.6845  -17.8621
            37  C1b C    16.5493  -20.8242
            38  C1a C    17.8131  -21.3707
            39  C1a C    19.1366  -19.7090
            40  C1b C    21.3212  -11.1054
            41  C1a C    19.9174  -10.0064
            42  C1b C    23.4984  -13.1700
            43  C1b C    21.4714  -19.8216
            44  C1a C    23.4533  -17.4193
            45  C1a C    22.7100  -18.9056
            46  C8x C    23.4652  -27.7380
            47  C8y C    24.5238  -25.9061
            48  C1y C    15.6586  -29.6958
            49  C5a C    12.5641  -12.1489
            50  C1b C    15.8708  -10.4973
            51  C5a C    14.2490  -19.0108
            52  C1b C    15.3281  -21.1673
            53  C5a C    22.3948  -10.4823
            54  C1b C    24.0991  -12.0888
            55  C1b C    22.5975  -20.3321
            56  C8y C    24.5238  -27.1299
            57  C1a C    25.5823  -25.3055
            58  C1y C    15.2907  -28.5247
            59  O2x O    14.5999  -30.2965
            60  N1a N    11.3253  -12.1339
            61  O5a O    13.1872  -11.0827
            62  C5a C    15.8858   -9.2511
            63  N1a N    13.0254  -19.2135
            64  O5a O    15.0300  -19.9568
            65  C5a C    15.3207  -22.4136
            66  N1a N    22.3874   -9.2361
            67  O5a O    23.4760  -11.0978
            68  C5a C    25.3453  -12.0814
            69  C5a C    22.7177  -21.5633
            70  C1a C    25.5823  -27.7380
            71  C1y C    14.0595  -28.5097
            72  O1a O    16.0189  -27.5487
            73  C1y C    13.6841  -29.6658
            74  N1a N    14.8123   -8.6277
            75  O5a O    16.9668   -8.6428
            76  N1b N    14.2471  -23.0367
            77  O5a O    16.3793  -23.0443
            78  N1a N    25.9610  -11.0002
            79  O5a O    25.9758  -13.1624
            80  N1a N    21.7042  -22.2766
            81  O5a O    23.8587  -22.0815
            82  O2b O    13.3536  -27.5112
            83  C1b C    12.4303  -30.0862
            84  C1b C    14.2471  -24.3206
            85  P1b P    11.9948  -26.9106
            86  O1a O    12.1751  -31.3775
            87  C1c C    13.1285  -24.9661
            88  O2b O    13.1359  -26.2500
            89  O1c O    10.8538  -26.2500 #-
            90  O1c O    11.0639  -27.8415
            91  C1a C    12.0249  -24.3206
            92  C1y C    26.2373  -16.0301
            93  O2x O    27.2582  -15.2868
            94  C1y C    26.6350  -17.2313
            95  C1y C    28.3093  -16.0752
            96  C1y C    27.9113  -17.2313
            97  O1a O    26.2222  -18.4474
            98  N4y N    29.4954  -15.6922
            99  O1a O    28.5196  -18.2824
            100 C8y C    30.4791  -16.3754
            101 C8x C    29.9385  -14.4009
            102 C8y C    31.6202  -15.5346
            103 N5x N    30.5991  -17.6893
            104 N5x N    31.2749  -14.4085
            105 C8y C    32.7839  -16.0525
            106 C8x C    31.8303  -18.2297
            107 N5x N    32.9339  -17.4189
            108 N1a N    33.8048  -15.2868
            109 C1b C    24.9159  -14.7656
BOND        119
            1     1   3 1
            2     2   7 1
            3     2   8 2
            4     3   9 1
            5     3  10 1
            6     4  11 1
            7     4  12 2
            8     5  13 2
            9     5  14 1
            10    6  15 1
            11    6  16 2
            12    7  17 1
            13    7  18 1 #Down
            14    8  19 1
            15    8  20 1
            16    9  21 1
            17   10  22 1
            18   10  23 2
            19   11  24 1
            20   12  25 1
            21   12  26 1
            22   13  27 1
            23   14  28 1
            24   15  29 2
            25   15  30 1
            26   16  31 1
            27   17  32 1 #Up
            28   17  33 1 #Down
            29   19  34 1 #Down
            30   20  35 1
            31   21  36 1 #Up
            32   22  37 1 #Down
            33   22  38 1 #Up
            34   23  39 1
            35   24  40 1 #Up
            36   24  41 1 #Down
            37   25  42 1 #Down
            38   27  43 1 #Down
            39   28  44 1
            40   28  45 1
            41   29  46 1
            42   30  47 2
            43   48  31 1 #Up
            44   32  49 1
            45   34  50 1
            46   36  51 1
            47   37  52 1
            48   40  53 1
            49   42  54 1
            50   43  55 1
            51   46  56 2
            52   47  57 1
            53   48  58 1
            54   48  59 1
            55   49  60 1
            56   49  61 2
            57   50  62 1
            58   51  63 1
            59   51  64 2
            60   52  65 1
            61   53  66 1
            62   53  67 2
            63   54  68 1
            64   55  69 1
            65   56  70 1
            66   58  71 1
            67   58  72 1 #Up
            68   73  59 1
            69   62  74 1
            70   62  75 2
            71   65  76 1
            72   65  77 2
            73   68  78 1
            74   68  79 2
            75   69  80 1
            76   69  81 2
            77   71  82 1 #Up
            78   73  83 1 #Down
            79   76  84 1
            80   82  85 1
            81   83  86 1
            82   84  87 1
            83   85  88 1
            84   85  89 1
            85   85  90 2
            86   87  91 1 #Down
            87    7   9 1
            88   11  20 2
            89   13  23 1
            90   14  26 2
            91   17  19 1
            92   21  22 1
            93   24  25 1
            94   27  28 1
            95   29  31 1
            96   47  56 1
            97   71  73 1
            98   87  88 1
            99   92  93 1
            100  92  94 1
            101  93  95 1
            102  94  96 1
            103  94  97 1 #Down
            104  95  98 1 #Up
            105  96  99 1 #Down
            106  98 100 1
            107  98 101 1
            108 100 102 2
            109 100 103 1
            110 101 104 2
            111 102 105 1
            112 103 106 2
            113 105 107 2
            114 105 108 1
            115  95  96 1
            116 102 104 1
            117 106 107 1
            118  92 109 1 #Up
            119   1 109 1

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