KEGG   COMPOUND: C00541Help
Entry
C00541                      Compound                               

Name
Cob(II)alamin;
Vitamin B12r
Formula
C62H88CoN13O14P
Exact mass
1328.5643
Mol weight
1329.3478
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
1.16.1.3        1.16.1.4        1.16.1.5        2.1.1.308       
2.1.1.326       2.1.1.-
Other DBs
CAS: 14463-33-3
PubChem: 3822
ChEBI: 16304
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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