KEGG   COMPOUND: C02823
Entry
C02823                      Compound                               
Name
Cyanocobalamin;
Cyanocob(III)alamin;
Dicopac;
Vitamin B12 complex
Formula
C63H88CoN14O14P
Exact mass
1354.5674
Mol weight
1355.36
Structure
Remark
Same as: D00166
Reaction
R02999
Pathway
map00860  Porphyrin metabolism
map01100  Metabolic pathways
map04977  Vitamin digestion and absorption
map04980  Cobalamin transport and metabolism
Network
nt06538  Cobalamin transport and metabolism
Enzyme
1.16.1.6
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)
     B03BA01 Cyanocobalamin
      D00166  Cyanocobalamin (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Electrolytes/Minerals/Metals/Vitamins
  Vitamins
   Cyanocobalamin
    D00166  Cyanocobalamin (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00166  Cyanocobalamin (JP18/USP/INN)
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3136  Vitamin B12 preparations
     D00166  Cyanocobalamin (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  24 Anemia drugs
   D00166  Cyanocobalamin (JP18/USP/INN)
 Nourishing tonics and health supplements
  42 Vitamin B1B6B12 based drugs
   D00166  Cyanocobalamin (JP18/USP/INN)
  43 Vitamin containing supplements
   D00166  Cyanocobalamin (JP18/USP/INN)
 Agents for ophthalmologic use
  62 General eye drops
   D00166  Cyanocobalamin (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cyanocobalamin
    D00166  Cyanocobalamin (JP18/USP/INN)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  962  Vitamin preparations
   9623  Vitamin B and preparations (except vitamin B1 preparations)
    C02823  Cyanocob(III)alamin
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00166  Cyanocobalamin
  D00166  Cyanocobalamin injection
Other DBs
CAS: 68-19-9
PubChem: 5771
ChEBI: 17439
KNApSAcK: C00001534
NIKKAJI: J203.514F
LinkDB
KCF data

ATOM        93
            1   Z   Co   23.0566  -15.4147 #+
            2   N2x N    21.7276  -14.1535
            3   N1y N    21.7276  -16.8112
            4   N2x N    24.4304  -14.1985
            5   N2x N    24.4004  -16.7811
            6   N5x N    25.1704  -25.5382
            7   C1z C    20.5041  -14.3485
            8   C2y C    21.9454  -12.9373
            9   C1y C    20.5041  -16.6309
            10  C2y C    21.9303  -18.0348
            11  C2y C    24.1676  -12.9747
            12  C2y C    25.6766  -14.3111
            13  C2y C    24.1827  -17.9897
            14  C2y C    25.6466  -16.6159
            15  C8y C    26.3341  -25.9061
            16  C8x C    24.4571  -26.5293
            17  C1z C    19.9408  -13.2299
            18  C1a C    19.2877  -14.6790
            19  C1y C    20.8343  -12.3590
            20  C2y C    23.0640  -12.5169
            21  C1y C    19.9408  -17.7345
            22  C1z C    20.8343  -18.6130
            23  C2y C    23.0640  -18.4702
            24  C1z C    25.2488  -12.3590
            25  C1y C    26.1722  -13.1774
            26  C2x C    26.1347  -15.4598
            27  C1y C    25.2638  -18.5830
            28  C1z C    26.1722  -17.7345
            29  C8y C    26.3265  -27.1299
            30  C8x C    27.3852  -25.3055
            31  N4y N    25.1704  -27.5127
            32  C1b C    17.0922  -13.2225
            33  C1a C    19.6105  -12.0213
            34  C1b C    20.8568  -11.1204
            35  C1a C    23.0566  -11.2630
            36  C1b C    18.6045  -17.8621
            37  C1b C    20.4693  -20.8242
            38  C1a C    21.7331  -21.3707
            39  C1a C    23.0566  -19.7090
            40  C1b C    25.2412  -11.1054
            41  C1a C    23.8374  -10.0064
            42  C1b C    27.4184  -13.1700
            43  C1b C    25.3914  -19.8216
            44  C1a C    27.3733  -17.4193
            45  C1a C    26.6300  -18.9056
            46  C8x C    27.3852  -27.7380
            47  C8y C    28.4438  -25.9061
            48  C1y C    19.5786  -29.6958
            49  C5a C    16.4841  -12.1489
            50  C1b C    19.7908  -10.4973
            51  C5a C    18.1690  -19.0108
            52  C1b C    19.2481  -21.1673
            53  C5a C    26.3148  -10.4823
            54  C1b C    28.0191  -12.0888
            55  C1b C    26.5175  -20.3321
            56  C8y C    28.4438  -27.1299
            57  C1a C    29.5023  -25.3055
            58  C1y C    19.2107  -28.5247
            59  O2x O    18.5199  -30.2965
            60  N1a N    15.2453  -12.1339
            61  O5a O    17.1072  -11.0827
            62  C5a C    19.8058   -9.2511
            63  N1a N    16.9454  -19.2135
            64  O5a O    18.9500  -19.9568
            65  C5a C    19.2407  -22.4136
            66  N1a N    26.3074   -9.2361
            67  O5a O    27.3960  -11.0978
            68  C5a C    29.2653  -12.0814
            69  C5a C    26.6377  -21.5633
            70  C1a C    29.5023  -27.7380
            71  C1y C    17.9795  -28.5097
            72  O1a O    19.9389  -27.5487
            73  C1y C    17.6041  -29.6658
            74  N1a N    18.7323   -8.6277
            75  O5a O    20.8868   -8.6428
            76  N1b N    18.1671  -23.0367
            77  O5a O    20.2993  -23.0443
            78  N1a N    29.8810  -11.0002
            79  O5a O    29.8958  -13.1624
            80  N1a N    25.6242  -22.2766
            81  O5a O    27.7787  -22.0815
            82  O2b O    17.2736  -27.5112
            83  C1b C    16.3503  -30.0862
            84  C1b C    18.1671  -24.3206
            85  P1b P    15.9148  -26.9106
            86  O1a O    16.0951  -31.3775
            87  C1c C    17.0485  -24.9661
            88  O2b O    17.0559  -26.2500
            89  O1c O    14.7738  -26.2500 #-
            90  O1c O    14.9839  -27.8415
            91  C1a C    15.9449  -24.3206
            92  C3b C    27.5800  -14.9100
            93  N3a N    28.9800  -14.9100
BOND        100
            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 3
            100   1  92 1

» Japanese version

KEGG   COMPOUND: C06453
Entry
C06453                      Compound                               
Name
Methylcobalamin;
Methylcob(III)alamin
Formula
C63H91CoN13O14P
Exact mass
1343.5878
Mol weight
1344.38
Structure
Remark
Same as: D03246
Reaction
R07668 R08862 R08873 R08875 R11293 R11294 R13182
Pathway
map04977  Vitamin digestion and absorption
map04980  Cobalamin transport and metabolism
Network
nt06538  Cobalamin transport and metabolism
Enzyme
2.1.1.308       2.1.1.326       2.1.1.382       2.1.1.390       
2.1.1.-
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)
     B03BA05 Mecobalamin
      D03246  Mecobalamin (JP18/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3136  Vitamin B12 preparations
     D03246  Mecobalamin (JP18/USAN)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  42 Vitamin B1B6B12 based drugs
   D03246  Mecobalamin (JP18/USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Mecobalamin
    D03246  Mecobalamin (JP18/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03246  Mecobalamin
  D03246  Mecobalamin tablets
Rx-to-OTC switch list in Japan [br08314.html]
 D03246
Other DBs
CAS: 13422-55-4
PubChem: 8686
ChEBI: 28115
NIKKAJI: J1.706.550E
LinkDB
KCF data

ATOM        92
            1   Z   Co   23.0566  -15.4147 #+
            2   N2x N    21.7276  -14.1535
            3   N1y N    21.7276  -16.8112
            4   N2x N    24.4304  -14.1985
            5   N2x N    24.4004  -16.7811
            6   N5x N    25.1704  -25.5382
            7   C1z C    20.5041  -14.3485
            8   C2y C    21.9454  -12.9373
            9   C1y C    20.5041  -16.6309
            10  C2y C    21.9303  -18.0348
            11  C2y C    24.1676  -12.9747
            12  C2y C    25.6766  -14.3111
            13  C2y C    24.1827  -17.9897
            14  C2y C    25.6466  -16.6159
            15  C8y C    26.3341  -25.9061
            16  C8x C    24.4571  -26.5293
            17  C1z C    19.9408  -13.2299
            18  C1a C    19.2877  -14.6790
            19  C1y C    20.8343  -12.3590
            20  C2y C    23.0640  -12.5169
            21  C1y C    19.9408  -17.7345
            22  C1z C    20.8343  -18.6130
            23  C2y C    23.0640  -18.4702
            24  C1z C    25.2488  -12.3590
            25  C1y C    26.1722  -13.1774
            26  C2x C    26.1347  -15.4598
            27  C1y C    25.2638  -18.5830
            28  C1z C    26.1722  -17.7345
            29  C8y C    26.3265  -27.1299
            30  C8x C    27.3852  -25.3055
            31  N4y N    25.1704  -27.5127
            32  C1b C    17.0922  -13.2225
            33  C1a C    19.6105  -12.0213
            34  C1b C    20.8568  -11.1204
            35  C1a C    23.0566  -11.2630
            36  C1b C    18.6045  -17.8621
            37  C1b C    20.4693  -20.8242
            38  C1a C    21.7331  -21.3707
            39  C1a C    23.0566  -19.7090
            40  C1b C    25.2412  -11.1054
            41  C1a C    23.8374  -10.0064
            42  C1b C    27.4184  -13.1700
            43  C1b C    25.3914  -19.8216
            44  C1a C    27.3733  -17.4193
            45  C1a C    26.6300  -18.9056
            46  C8x C    27.3852  -27.7380
            47  C8y C    28.4438  -25.9061
            48  C1y C    19.5786  -29.6958
            49  C5a C    16.4841  -12.1489
            50  C1b C    19.7908  -10.4973
            51  C5a C    18.1690  -19.0108
            52  C1b C    19.2481  -21.1673
            53  C5a C    26.3148  -10.4823
            54  C1b C    28.0191  -12.0888
            55  C1b C    26.9375  -20.0521
            56  C8y C    28.4438  -27.1299
            57  C1a C    29.5023  -25.3055
            58  C1y C    19.2107  -28.5247
            59  O2x O    18.5199  -30.2965
            60  N1a N    15.2453  -12.1339
            61  O5a O    17.1072  -11.0827
            62  C5a C    19.8058   -9.2511
            63  N1a N    16.9454  -19.2135
            64  O5a O    18.9500  -19.9568
            65  C5a C    19.2407  -22.4136
            66  N1a N    26.3074   -9.2361
            67  O5a O    27.3960  -11.0978
            68  C5a C    29.2653  -12.0814
            69  C5a C    27.2677  -21.4233
            70  C1a C    29.5023  -27.7380
            71  C1y C    17.9795  -28.5097
            72  O1a O    19.9389  -27.5487
            73  C1y C    17.6041  -29.6658
            74  N1a N    18.7323   -8.6277
            75  O5a O    20.8868   -8.6428
            76  N1b N    18.1671  -23.0367
            77  O5a O    20.2993  -23.0443
            78  N1a N    29.8810  -11.0002
            79  O5a O    29.8958  -13.1624
            80  N1a N    26.2542  -22.1366
            81  O5a O    28.4087  -21.9415
            82  O2b O    17.2736  -27.5112
            83  C1b C    16.3503  -30.0862
            84  C1b C    18.1671  -24.3206
            85  P1b P    15.9148  -26.9106
            86  O1a O    16.0951  -31.3775
            87  C1c C    17.0485  -24.9661
            88  O2b O    17.0559  -26.2500
            89  O1c O    14.7738  -26.2500 #-
            90  O1c O    14.9839  -27.8415
            91  C1a C    15.9449  -24.3206
            92  C1a C    27.8389  -14.7024
BOND        99
            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    1  92 1

» Japanese version

KEGG   COMPOUND: C00194
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
1579.58
Structure
Remark
Same as: D00042
Comment
Coordination compound
Representative chemical structure of Cobamide [CPD:C00210].
Reaction
R01492 R05223 R11173 R12183 R12857 R12945
Pathway
map00860  Porphyrin metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
map04977  Vitamin digestion and absorption
map04980  Cobalamin transport and metabolism
Module
M00122  Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin
Network
nt06538  Cobalamin transport and metabolism
Enzyme
2.5.1.17        2.5.1.154       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) <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)
Other DBs
CAS: 13870-90-1
PubChem: 3494
ChEBI: 18408
NIKKAJI: J2.221.278H
LinkDB
KCF data

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

» Japanese version

KEGG   COMPOUND: C08230
Entry
C08230                      Compound                               
Name
Hydroxocobalamin;
Vitamin B12a;
Hydroxycobalamin;
Hydroxycob(lll)alamin
Formula
C62H89CoN13O15P
Exact mass
1345.5671
Mol weight
1346.35
Structure
Remark
Same as: D01027
Pathway
map04977  Vitamin digestion and absorption
map04980  Cobalamin transport and metabolism
Network
nt06538  Cobalamin transport and metabolism
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)
     B03BA03 Hydroxocobalamin
      D01027  Hydroxocobalamin (JAN/USP/INN) <US>
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB33 Hydroxocobalamin
      D01027  Hydroxocobalamin (JAN/USP/INN) <US>
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cyanocobalamin
    D01027  Hydroxocobalamin (JAN/USP/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01027
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  962  Vitamin preparations
   9623  Vitamin B and preparations (except vitamin B1 preparations)
    C08230  Hydroxocobalamin
Other DBs
CAS: 13422-51-0
PubChem: 10429
ChEBI: 27786
NIKKAJI: J2.206.660I
LinkDB
KCF data

ATOM        92
            1   Z   Co   23.0566  -15.4147 #+
            2   N2x N    21.7276  -14.1535
            3   N1y N    21.7276  -16.8112
            4   N2x N    24.4304  -14.1985
            5   N2x N    24.4004  -16.7811
            6   N5x N    25.1704  -25.5382
            7   C1z C    20.5041  -14.3485
            8   C2y C    21.9454  -12.9373
            9   C1y C    20.5041  -16.6309
            10  C2y C    21.9303  -18.0348
            11  C2y C    24.1676  -12.9747
            12  C2y C    25.6766  -14.3111
            13  C2y C    24.1827  -17.9897
            14  C2y C    25.6466  -16.6159
            15  C8y C    26.3341  -25.9061
            16  C8x C    24.4571  -26.5293
            17  C1z C    19.9408  -13.2299
            18  C1a C    19.2877  -14.6790
            19  C1y C    20.8343  -12.3590
            20  C2y C    23.0640  -12.5169
            21  C1y C    19.9408  -17.7345
            22  C1z C    20.8343  -18.6130
            23  C2y C    23.0640  -18.4702
            24  C1z C    25.2488  -12.3590
            25  C1y C    26.1722  -13.1774
            26  C2x C    26.1347  -15.4598
            27  C1y C    25.2638  -18.5830
            28  C1z C    26.1722  -17.7345
            29  C8y C    26.3265  -27.1299
            30  C8x C    27.3852  -25.3055
            31  N4y N    25.1704  -27.5127
            32  C1b C    17.0922  -13.2225
            33  C1a C    19.6105  -12.0213
            34  C1b C    20.8568  -11.1204
            35  C1a C    23.0566  -11.2630
            36  C1b C    18.6045  -17.8621
            37  C1b C    20.4693  -20.8242
            38  C1a C    21.7331  -21.3707
            39  C1a C    23.0566  -19.7090
            40  C1b C    25.2412  -11.1054
            41  C1a C    23.8374  -10.0064
            42  C1b C    27.4184  -13.1700
            43  C1b C    25.3914  -19.8216
            44  C1a C    27.3733  -17.4193
            45  C1a C    26.6300  -18.9056
            46  C8x C    27.3852  -27.7380
            47  C8y C    28.4438  -25.9061
            48  C1y C    19.5786  -29.6958
            49  C5a C    16.4841  -12.1489
            50  C1b C    19.7908  -10.4973
            51  C5a C    18.1690  -19.0108
            52  C1b C    19.2481  -21.1673
            53  C5a C    26.3148  -10.4823
            54  C1b C    28.0191  -12.0888
            55  C1b C    26.5175  -20.3321
            56  C8y C    28.4438  -27.1299
            57  C1a C    29.5023  -25.3055
            58  C1y C    19.2107  -28.5247
            59  O2x O    18.5199  -30.2965
            60  N1a N    15.2453  -12.1339
            61  O5a O    17.1072  -11.0827
            62  C5a C    19.8058   -9.2511
            63  N1a N    16.9454  -19.2135
            64  O5a O    18.9500  -19.9568
            65  C5a C    19.2407  -22.4136
            66  N1a N    26.3074   -9.2361
            67  O5a O    27.3960  -11.0978
            68  C5a C    29.2653  -12.0814
            69  C5a C    26.6377  -21.5633
            70  C1a C    29.5023  -27.7380
            71  C1y C    17.9795  -28.5097
            72  O1a O    19.9389  -27.5487
            73  C1y C    17.6041  -29.6658
            74  N1a N    18.7323   -8.6277
            75  O5a O    20.8868   -8.6428
            76  N1b N    18.1671  -23.0367
            77  O5a O    20.2993  -23.0443
            78  N1a N    29.8810  -11.0002
            79  O5a O    29.8958  -13.1624
            80  N1a N    25.6242  -22.2766
            81  O5a O    27.7787  -22.0815
            82  O2b O    17.2736  -27.5112
            83  C1b C    16.3503  -30.0862
            84  C1b C    18.1671  -24.3206
            85  P1b P    15.9148  -26.9106
            86  O1a O    16.0951  -31.3775
            87  C1c C    17.0485  -24.9661
            88  O2b O    17.0559  -26.2500
            89  O1c O    14.7738  -26.2500 #-
            90  O1c O    14.9839  -27.8415
            91  C1a C    15.9449  -24.3206
            92  O1a O    21.5190  -10.2064
BOND        99
            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    1  92 1 #Up

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