KEGG   COMPOUND: C05776Help
Entry
C05776                      Compound                               

Name
Vitamin B12;
Cobalamin (III);
Cob(III)alamin
Formula
C62H88CoN13O14PR
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
ABC transporters
Vitamin digestion and absorption
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Vitamins
   Water-soluble vitamins
    C05776  Cobalamin(III) (Vitamin B12)
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

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    26.8675  -20.1921
            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  -21.5633
            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    26.2542  -22.2766
            81  O5a O    28.4087  -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  R   R    28.1189  -14.8424
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

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