KEGG   DRUG: CobamamideHelp
Entry
D00042                      Drug                                   

Name
Cobamamide (JAN/INN);
Calomide (TN)
Formula
C72H100CoN18O17P
Exact mass
1578.6583
Mol weight
1579.5818
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00194
Therapeutic category: 3136
ATC code: B03BA04
Product: D00042<JP>
Efficacy
Anti-anemic, Supplement (vitamin B12)
Comment
Coenzyme form of vitamin B12
Brite
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) <JP>
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: 7847110
NIKKAJI: J2.221.278H
LinkDB All DBs
KCF data Show

ATOM        109
            1   Z   Co   15.2166  -11.6347 #+
            2   N2x N    13.8876  -10.3735
            3   N1y N    13.8876  -13.0312 #-
            4   N2x N    16.5904  -10.4185
            5   N2x N    16.5604  -13.0011
            6   N5x N    17.3304  -21.7582
            7   C1z C    12.6641  -10.5685
            8   C2y C    14.1054   -9.1573
            9   C1y C    12.6641  -12.8509
            10  C2y C    14.0903  -14.2548
            11  C2y C    16.3276   -9.1947
            12  C2y C    17.8366  -10.5311
            13  C2y C    16.3427  -14.2097
            14  C2y C    17.8066  -12.8359
            15  C8y C    18.4941  -22.1261
            16  C8x C    16.6171  -22.7493
            17  C1z C    12.1008   -9.4499
            18  C1a C    11.4477  -10.8990
            19  C1y C    12.9943   -8.5790
            20  C2y C    15.2240   -8.7369
            21  C1y C    12.1008  -13.9545
            22  C1z C    12.9943  -14.8330
            23  C2y C    15.2240  -14.6902
            24  C1z C    17.4088   -8.5790
            25  C1y C    18.3322   -9.3974
            26  C2x C    18.2947  -11.6798
            27  C1y C    17.4238  -14.8030
            28  C1z C    18.3322  -13.9545
            29  C8y C    18.4865  -23.3499
            30  C8x C    19.5452  -21.5255
            31  N4y N    17.3304  -23.7327
            32  C1b C     9.2522   -9.4425
            33  C1a C    11.7705   -8.2413
            34  C1b C    13.0168   -7.3404
            35  C1a C    15.2166   -7.4830
            36  C1b C    10.7645  -14.0821
            37  C1b C    12.6293  -17.0442
            38  C1a C    13.8931  -17.5907
            39  C1a C    15.2166  -15.9290
            40  C1b C    17.4012   -7.3254
            41  C1a C    15.9974   -6.2264
            42  C1b C    19.5784   -9.3900
            43  C1b C    17.5514  -16.0416
            44  C1a C    19.5333  -13.6393
            45  C1a C    18.7900  -15.1256
            46  C8x C    19.5452  -23.9580
            47  C8y C    20.6038  -22.1261
            48  C1y C    11.7386  -25.9158
            49  C5a C     8.6441   -8.3689
            50  C1b C    11.9508   -6.7173
            51  C5a C    10.3290  -15.2308
            52  C1b C    11.4081  -17.3873
            53  C5a C    18.4748   -6.7023
            54  C1b C    20.1791   -8.3088
            55  C1b C    18.6775  -16.5521
            56  C8y C    20.6038  -23.3499
            57  C1a C    21.6623  -21.5255
            58  C1y C    11.3707  -24.7447
            59  O2x O    10.6799  -26.5165
            60  N1a N     7.4053   -8.4239
            61  O5a O     9.2672   -7.3027
            62  C5a C    11.9658   -5.4711
            63  N1a N     9.1054  -15.4335
            64  O5a O    11.1100  -16.1768
            65  C5a C    11.4007  -18.6336
            66  N1a N    18.4674   -5.4561
            67  O5a O    19.5560   -7.3178
            68  C5a C    21.4253   -8.3014
            69  C5a C    18.7977  -17.7833
            70  C1a C    21.6623  -23.9580
            71  C1y C    10.1395  -24.7297
            72  O1a O    12.0989  -23.7687
            73  C1y C     9.7641  -25.8858
            74  N1a N    10.8923   -4.8477
            75  O5a O    13.0468   -4.8628
            76  N1b N    10.3271  -19.2567
            77  O5a O    12.4593  -19.2643
            78  N1a N    22.0410   -7.2202
            79  O5a O    22.0558   -9.3824
            80  N1a N    17.7842  -18.4966
            81  O5a O    19.9387  -18.3015
            82  O2b O     9.4336  -23.7312
            83  C1b C     8.5103  -26.3062
            84  C1b C    10.3271  -20.5406
            85  P1b P     8.0748  -23.1306
            86  O1a O     8.2551  -27.5975
            87  C1c C     9.2085  -21.1861
            88  O2b O     9.2159  -22.4700
            89  O1c O     6.9338  -22.4700 #-
            90  O1c O     7.1439  -24.0615
            91  C1a C     8.1049  -20.5406
            92  C1y C    22.8073  -12.6701
            93  O2x O    23.8282  -11.9268
            94  C1y C    23.2050  -13.8713
            95  C1y C    24.8793  -12.7152
            96  C1y C    24.4813  -13.8713
            97  O1a O    22.7922  -15.0874
            98  N4y N    26.0654  -12.3322
            99  O1a O    25.0896  -14.9224
            100 C8y C    27.0491  -13.0154
            101 C8x C    26.5085  -11.0409
            102 C8y C    28.1902  -12.1746
            103 N5x N    27.1691  -14.3293
            104 N5x N    27.8449  -11.0485
            105 C8y C    29.3539  -12.6925
            106 C8x C    28.4003  -14.8697
            107 N5x N    29.5039  -14.0589
            108 N1a N    30.3748  -11.9268
            109 C1b C    21.4859  -11.6156 #-
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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