KEGG   COMPOUND: C00853Help
Entry
C00853                      Compound                               

Name
Cob(I)alamin;
Cbl;
Vitamin B12s
Formula
C62H89CoN13O14P
Exact mass
1329.5722
Mol weight
1330.3557
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Enzyme
1.16.1.4        1.16.1.6        2.1.1.-         2.5.1.17
Other DBs
CAS: 
18534-66-2
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        91
            1   Z   Co   27.8866  -16.8147
            2   N2x N    26.5576  -15.5535
            3   N1y N    26.5576  -18.2112
            4   N2x N    29.2604  -15.5985
            5   N2x N    29.2304  -18.1811
            6   N5x N    30.0004  -26.9382
            7   C1z C    25.3341  -15.7485
            8   C2y C    26.7754  -14.3373
            9   C1y C    25.3341  -18.0309
            10  C2y C    26.7603  -19.4348
            11  C2y C    28.9976  -14.3747
            12  C2y C    30.5066  -15.7111
            13  C2y C    29.0127  -19.3897
            14  C2y C    30.4766  -18.0159
            15  C8y C    31.1641  -27.3061
            16  C8x C    29.2871  -27.9293
            17  C1z C    24.7708  -14.6299
            18  C1a C    24.1177  -16.0790
            19  C1y C    25.6643  -13.7590
            20  C2y C    27.8940  -13.9169
            21  C1y C    24.7708  -19.1345
            22  C1z C    25.6643  -20.0130
            23  C2y C    27.8940  -19.8702
            24  C1z C    30.0788  -13.7590
            25  C1y C    31.0022  -14.5774
            26  C2x C    30.9647  -16.8598
            27  C1y C    30.0938  -19.9830
            28  C1z C    31.0022  -19.1345
            29  C8y C    31.1565  -28.5299
            30  C8x C    32.2152  -26.7055
            31  N4y N    30.0004  -28.9127
            32  C1b C    21.9222  -14.6225
            33  C1a C    24.4405  -13.4213
            34  C1b C    25.6868  -12.5204
            35  C1a C    27.8866  -12.6630
            36  C1b C    23.4345  -19.2621
            37  C1b C    25.2993  -22.2242
            38  C1a C    26.5631  -22.7707
            39  C1a C    27.8866  -21.1090
            40  C1b C    30.0712  -12.5054
            41  C1a C    28.6674  -11.4064
            42  C1b C    32.2484  -14.5700
            43  C1b C    30.2214  -21.2216
            44  C1a C    32.2033  -18.8193
            45  C1a C    31.4600  -20.3056
            46  C8x C    32.2152  -29.1380
            47  C8y C    33.2738  -27.3061
            48  C1y C    24.4086  -31.0958
            49  C5a C    21.3141  -13.5489
            50  C1b C    24.6208  -11.8973
            51  C5a C    22.9990  -20.4108
            52  C1b C    24.0781  -22.5673
            53  C5a C    31.1448  -11.8823
            54  C1b C    32.8491  -13.4888
            55  C1b C    31.3475  -21.7321
            56  C8y C    33.2738  -28.5299
            57  C1a C    34.3323  -26.7055
            58  C1y C    24.0407  -29.9247
            59  O2x O    23.3499  -31.6965
            60  N1a N    20.0753  -13.5339
            61  O5a O    21.9372  -12.4827
            62  C5a C    24.6358  -10.6511
            63  N1a N    21.7754  -20.6135
            64  O5a O    23.7800  -21.3568
            65  C5a C    24.0707  -23.8136
            66  N1a N    31.1374  -10.6361
            67  O5a O    32.2260  -12.4978
            68  C5a C    34.0953  -13.4814
            69  C5a C    31.4677  -22.9633
            70  C1a C    34.3323  -29.1380
            71  C1y C    22.8095  -29.9097
            72  O1a O    24.7689  -28.9487
            73  C1y C    22.4341  -31.0658
            74  N1a N    23.5623  -10.0277
            75  O5a O    25.7168  -10.0428
            76  N1b N    22.9971  -24.4367
            77  O5a O    25.1293  -24.4443
            78  N1a N    34.7110  -12.4002
            79  O5a O    34.7258  -14.5624
            80  N1a N    30.4542  -23.6766
            81  O5a O    32.6087  -23.4815
            82  O2b O    22.1036  -28.9112
            83  C1b C    21.1803  -31.4862
            84  C1b C    22.9971  -25.7206
            85  P1b P    20.7448  -28.3106
            86  O1a O    20.9251  -32.7775
            87  C1c C    21.8785  -26.3661
            88  O2b O    21.8859  -27.6500
            89  O1c O    19.6038  -27.6500
            90  O1c O    19.8139  -29.2415
            91  C1a C    20.7749  -25.7206
BOND        98
            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

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