KEGG   COMPOUND: C06509
Entry
C06509                      Compound                               

Name
Adenosyl cobinamide phosphate;
Adenosylcobinamide phosphate
Formula
C58H85CoN16O14P
Exact mass
1319.5501
Mol weight
1320.3013
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
2.7.1.156       2.7.7.62        6.3.1.10
Other DBs
PubChem: 8740
ChEBI: 2481
KCF data

ATOM        90
            1   N1y N    23.0109  -17.3081
            2   N2x N    23.0109  -20.1215
            3   N2x N    25.8721  -17.3490
            4   N2x N    25.8448  -20.0806
            5   C1z C    21.7165  -17.5193
            6   C2y C    23.2357  -16.0274
            7   C1y C    21.7165  -19.9308
            8   C2y C    23.2290  -21.4158
            9   C2y C    25.5997  -16.0613
            10  C2y C    27.1868  -17.4715
            11  C2y C    25.6064  -21.3680
            12  C2y C    27.1528  -19.9103
            13  C1z C    21.1172  -16.3340
            14  C1a C    20.4291  -17.8599
            15  C1y C    22.0640  -15.4074
            16  C2y C    24.4280  -15.5710
            17  C1y C    21.1172  -21.1025
            18  C1z C    22.0640  -22.0221
            19  C2y C    24.4280  -21.8722
            20  C1z C    26.7372  -15.4005
            21  C1y C    27.7113  -16.2725
            22  C2x C    27.6773  -18.6910
            23  C1y C    26.7508  -21.9949
            24  C1z C    27.7182  -21.0956
            25  C1b C    19.8092  -16.3203
            26  C1a C    20.7697  -15.0532
            27  C1b C    22.0913  -14.0927
            28  C1a C    24.4210  -14.2425
            29  C1b C    19.8297  -21.3204
            30  C1b C    22.0504  -23.3299
            31  C1a C    23.7306  -24.1691
            32  C1a C    24.4210  -23.1938
            33  C1b C    26.7305  -14.0791
            34  C1a C    24.7633  -12.8969
            35  C1b C    29.0260  -16.2658
            36  C1b C    26.8871  -23.3096
            37  C1a C    28.6353  -20.1317
            38  C1a C    28.2018  -22.3355
            39  C5a C    19.1552  -15.1826
            40  C1b C    20.9605  -13.4319
            41  C5a C    19.3731  -22.5466
            42  C1b C    20.8991  -23.9908
            43  C5a C    27.8680  -13.4116
            44  C1b C    29.6732  -15.1214
            45  C1b C    28.0861  -23.8477
            46  N1a N    17.8542  -15.1759
            47  O5a O    19.8297  -14.0585
            48  C5a C    20.9741  -12.1172
            49  N1a N    18.0790  -22.7509
            50  O5a O    20.1975  -23.5480
            51  C5a C    20.9623  -25.3055
            52  N1a N    27.8612  -12.1036
            53  O5a O    29.0057  -14.0722
            54  C5a C    30.9879  -15.1145
            55  C5a C    28.2085  -25.1557
            56  N1a N    19.8433  -11.4564
            57  O5a O    22.1186  -11.4767
            58  N1b N    19.7615  -25.9663
            59  O5a O    22.0231  -25.9732
            60  N1a N    31.6420  -13.9770
            61  O5a O    31.6557  -16.2589
            62  N1a N    27.1392  -25.9118
            63  O5a O    29.4144  -25.7006
            64  C1b C    19.7615  -27.3219
            65  C1c C    18.5829  -28.0100
            66  O2b O    18.5829  -29.3656
            67  C1a C    17.4112  -27.3219
            68  P1b P    17.3773  -30.0673
            69  O1c O    18.2173  -31.2538
            70  O1c O    16.3747  -29.0856
            71  O1c O    16.0395  -30.9151
            72  Z   Co   24.4143  -18.6432 #+
            73  C1b C    29.0875  -18.6365
            74  C1y C    30.3749  -19.0656
            75  O2x O    31.4581  -18.2823
            76  C1y C    30.7973  -20.3463
            77  C1y C    32.5684  -19.1201
            78  C1y C    32.1529  -20.3463
            79  O1a O    30.3613  -21.6338
            80  N4y N    33.8288  -18.7113
            81  O1a O    32.7932  -21.4567
            82  C8y C    34.8711  -19.4334
            83  C8x C    34.2987  -17.3490
            84  C8y C    36.0767  -18.5480
            85  N5x N    34.9935  -20.8232
            86  N5x N    35.7089  -17.3557
            87  C8y C    37.3029  -19.0928
            88  C8x C    36.2948  -21.3953
            89  N5x N    37.4596  -20.5369
            90  N1a N    38.3792  -18.2823
BOND        97
            1     1   5 1
            2     1   6 1
            3     2   7 1
            4     2   8 2
            5     3   9 2
            6     3  10 1
            7     4  11 1
            8     4  12 2
            9     5  13 1
            10    5  14 1 #Down
            11    6  15 1
            12    6  16 2
            13    7  17 1
            14    8  18 1
            15    8  19 1
            16    9  20 1
            17   10  21 1
            18   10  22 2
            19   11  23 1
            20   12  24 1
            21   13  25 1 #Up
            22   13  26 1 #Down
            23   15  27 1 #Down
            24   16  28 1
            25   17  29 1 #Up
            26   18  30 1 #Down
            27   18  31 1 #Up
            28   19  32 1
            29   20  33 1 #Up
            30   20  34 1 #Down
            31   21  35 1 #Down
            32   23  36 1 #Down
            33   24  37 1
            34   24  38 1
            35   25  39 1
            36   27  40 1
            37   29  41 1
            38   30  42 1
            39   33  43 1
            40   35  44 1
            41   36  45 1
            42   39  46 1
            43   39  47 2
            44   40  48 1
            45   41  49 1
            46   41  50 2
            47   42  51 1
            48   43  52 1
            49   43  53 2
            50   44  54 1
            51   45  55 1
            52   48  56 1
            53   48  57 2
            54   51  58 1
            55   51  59 2
            56   54  60 1
            57   54  61 2
            58   55  62 1
            59   55  63 2
            60   58  64 1
            61   64  65 1
            62   65  66 1
            63   65  67 1 #Down
            64   66  68 1
            65   68  69 1
            66   68  70 1
            67   68  71 2
            68    5   7 1
            69    9  16 1
            70   11  19 2
            71   12  22 1
            72   13  15 1
            73   17  18 1
            74   20  21 1
            75   23  24 1
            76   72  73 1
            77   74  73 1 #Up
            78   74  75 1
            79   74  76 1
            80   75  77 1
            81   76  78 1
            82   76  79 1 #Down
            83   77  80 1 #Up
            84   78  81 1 #Down
            85   80  82 1
            86   80  83 1
            87   82  84 2
            88   82  85 1
            89   83  86 2
            90   84  87 1
            91   85  88 2
            92   87  89 2
            93   87  90 1
            94   77  78 1
            95   84  86 1
            96   88  89 1
            97    1  72 1

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