KEGG   COMPOUND: C06507
Entry
C06507                      Compound                               

Name
Adenosyl cobyrinate hexaamide;
Adenosylcobyric acid
Formula
C55H77CoN15O11
Exact mass
1182.5259
Mol weight
1183.227
Structure
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00122  Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin
Enzyme
3.5.1.90        6.3.1.10        6.3.5.10
Other DBs
PubChem: 8738
ChEBI: 2483
LinkDB
KCF data

ATOM        82
            1   Z   Co   28.2000  -31.8930 #+
            2   N1y N    26.8003  -30.5566
            3   N2x N    26.7944  -33.3618
            4   N2x N    29.6516  -30.5968
            5   N2x N    29.6227  -33.3272
            6   C1b C    32.8658  -31.8873
            7   C1z C    25.4983  -30.7697
            8   C2y C    27.0191  -29.2719
            9   C1y C    25.4983  -33.1717
            10  C2y C    27.0076  -34.6636
            11  C2y C    29.3750  -29.3180
            12  C2y C    30.9650  -30.7236
            13  C2y C    29.3865  -34.6175
            14  C2y C    30.9304  -33.1602
            15  C1y C    34.1505  -32.3134
            16  C1z C    24.9051  -29.5773
            17  C1a C    24.2138  -31.1038
            18  C1y C    25.8498  -28.6614
            19  C2y C    28.2115  -28.8284
            20  C1y C    24.8992  -34.3469
            21  C1z C    25.8439  -35.2685
            22  C2y C    28.2115  -35.1130
            23  C1z C    30.5156  -28.6557
            24  C1y C    31.4892  -29.5197
            25  C2x C    31.4488  -31.9391
            26  C1y C    30.5328  -35.2455
            27  C1z C    31.4892  -34.3411
            28  O2x O    35.2276  -31.5358
            29  C1y C    34.5709  -33.5922
            30  C1b C    23.5974  -29.5658
            31  C1a C    24.5595  -28.3042
            32  C1b C    25.8670  -27.3539
            33  C1a C    28.2000  -27.4979
            34  C1b C    23.6148  -34.5657
            35  C1b C    25.8324  -36.5760
            36  C1a C    27.7298  -37.9768
            37  C1a C    28.2000  -36.4320
            38  C1b C    30.5098  -27.3308
            39  C1a C    28.6769  -25.6557
            40  C1b C    32.8025  -29.5140
            41  C1b C    30.6655  -36.5473
            42  C1a C    32.4821  -33.2313
            43  C1a C    31.9788  -35.5796
            44  C1y C    36.3393  -32.3710
            45  C1y C    35.9188  -33.5922
            46  O1a O    34.1331  -34.8768
            47  C5a C    22.9466  -28.4367
            48  C1b C    24.7437  -26.6857
            49  C5a C    23.1539  -35.7927
            50  C1b C    24.6861  -37.2329
            51  C5a C    31.6447  -26.6683
            52  C1b C    33.4477  -28.3734
            53  C1b C    31.8636  -37.0887
            54  N4y N    37.5950  -31.9563
            55  O1a O    36.5640  -34.6982
            56  N1a N    21.6448  -28.4252
            57  O5a O    23.6148  -27.3078
            58  C5a C    24.7553  -25.3837
            59  N1a N    21.8693  -36.0000
            60  O5a O    23.9776  -36.7892
            61  C6a C    24.6804  -38.5519
            62  N1a N    31.6389  -25.3550
            63  O5a O    32.7795  -27.3250
            64  C5a C    34.7610  -28.3677
            65  C5a C    31.9845  -38.3964
            66  C8y C    38.6378  -32.6821
            67  C8x C    38.0674  -30.5968
            68  N1a N    23.6263  -24.7098
            69  O5a O    25.8959  -24.7329
            70  O6a O    23.5456  -39.2029
            71  O6a O    25.8037  -39.2144
            72  N1a N    35.4119  -27.2271
            73  O5a O    35.4234  -29.5025
            74  N1a N    30.9130  -39.1509
            75  O5a O    33.1884  -38.9378
            76  C8y C    39.8417  -31.7951
            77  N5x N    38.7702  -34.0703
            78  N5x N    39.4787  -30.6027
            79  C8y C    41.0685  -32.3365
            80  C8x C    40.0605  -34.6406
            81  N5x N    41.2240  -33.7881
            82  N1a N    42.1515  -31.5301
BOND        89
            1     1   2 1
            2     1   6 1
            3     2   7 1
            4     2   8 1
            5     3   9 1
            6     3  10 2
            7     4  11 2
            8     4  12 1
            9     5  13 1
            10    5  14 2
            11   15   6 1 #Up
            12    7  16 1
            13    7  17 1 #Down
            14    8  18 1
            15    8  19 2
            16    9  20 1
            17   10  21 1
            18   10  22 1
            19   11  23 1
            20   12  24 1
            21   12  25 2
            22   13  26 1
            23   14  27 1
            24   15  28 1
            25   15  29 1
            26   16  30 1 #Up
            27   16  31 1 #Down
            28   18  32 1 #Down
            29   19  33 1
            30   20  34 1 #Up
            31   21  35 1 #Down
            32   21  36 1 #Up
            33   22  37 1
            34   23  38 1 #Up
            35   23  39 1 #Down
            36   24  40 1 #Down
            37   26  41 1 #Down
            38   27  42 1
            39   27  43 1
            40   28  44 1
            41   29  45 1
            42   29  46 1 #Down
            43   30  47 1
            44   32  48 1
            45   34  49 1
            46   35  50 1
            47   38  51 1
            48   40  52 1
            49   41  53 1
            50   44  54 1 #Up
            51   45  55 1 #Down
            52   47  56 1
            53   47  57 2
            54   48  58 1
            55   49  59 1
            56   49  60 2
            57   50  61 1
            58   51  62 1
            59   51  63 2
            60   52  64 1
            61   53  65 1
            62   54  66 1
            63   54  67 1
            64   58  68 1
            65   58  69 2
            66   61  70 1
            67   61  71 2
            68   64  72 1
            69   64  73 2
            70   65  74 1
            71   65  75 2
            72   66  76 2
            73   66  77 1
            74   67  78 2
            75   76  79 1
            76   77  80 2
            77   79  81 2
            78   79  82 1
            79    7   9 1
            80   11  19 1
            81   13  22 2
            82   14  25 1
            83   16  18 1
            84   20  21 1
            85   23  24 1
            86   26  27 1
            87   44  45 1
            88   76  78 1
            89   80  81 1

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