KEGG   COMPOUND: C06503
Entry
C06503                      Compound                               
Name
Hydrogenobyrinate a,c diamide;
Hydrogenobyrinate diamide;
Hydrogenobyrinic acid a,c-diamide
Formula
C45H62N6O12
Exact mass
878.4426
Mol weight
879.0068
Structure
Reaction
Pathway
map00860  Porphyrin metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
M00925  Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide
Enzyme
6.3.5.9         6.6.1.2
Other DBs
PubChem: 8734
ChEBI: 27914
3DMET: B05208
NIKKAJI: J2.762.431F
LinkDB
KCF data

ATOM        63
            1   C1z C    21.9164  -15.9810
            2   C1y C    21.9164  -18.5176
            3   C1z C    21.2853  -14.7303
            4   N2x N    23.2898  -15.7649
            5   C1a C    20.5605  -16.3376
            6   C1y C    21.2853  -19.7625
            7   N1x N    23.2898  -18.7222
            8   C1y C    22.2846  -13.7542
            9   C1b C    19.9059  -14.7186
            10  C1a C    20.9229  -13.3861
            11  C2y C    23.5120  -14.4090
            12  C1z C    22.2788  -20.7210
            13  C1b C    19.9234  -19.9846
            14  C2y C    23.5061  -20.0898
            15  C1b C    22.3080  -12.3751
            16  C5a C    19.2280  -13.5147
            17  C2y C    24.7803  -13.9354
            18  C1b C    22.2671  -22.1061
            19  C1a C    23.4656  -21.2817
            20  C6a C    19.4442  -21.2820
            21  C2y C    24.7803  -20.5632
            22  C1b C    21.1215  -11.6737
            23  N1a N    17.8486  -13.5088
            24  O5a O    19.9234  -12.3341
            25  C2y C    26.0076  -14.4498
            26  C1a C    24.7686  -12.5386
            27  C1b C    21.0632  -22.8017
            28  O6a O    18.0824  -21.5042
            29  O6a O    20.3208  -22.3400
            30  C2y C    26.0193  -20.0431
            31  C1a C    24.7686  -21.9542
            32  C6a C    21.1332  -10.2885
            33  C1z C    27.2058  -13.7485
            34  N2x N    26.2998  -15.8058
            35  C6a C    21.0573  -24.1927
            36  C1y C    27.2292  -20.6976
            37  N2x N    26.2764  -18.6871
            38  O6a O    19.9410   -9.5871
            39  O6a O    22.3373   -9.6105
            40  C1y C    28.2344  -14.6661
            41  C1b C    27.1998  -12.3517
            42  C1a C    25.8673  -13.3978
            43  C2y C    27.6851  -15.9402
            44  O6a O    19.8534  -24.8764
            45  O6a O    22.2437  -24.8881
            46  C1z C    28.2402  -19.7566
            47  C1b C    27.3636  -22.0712
            48  C2y C    27.6441  -18.5002
            49  C1b C    29.6137  -14.6602
            50  C5a C    28.3922  -11.6561
            51  C2x C    28.1936  -17.2202
            52  C1a C    29.5727  -19.3942
            53  C1a C    28.7546  -21.0600
            54  C1b C    28.6259  -22.6556
            55  C1b C    30.2975  -13.4563
            56  N1a N    28.3922  -10.2710
            57  O5a O    29.5961  -12.3458
            58  C6a C    28.6203  -24.0290
            59  C6a C    31.6827  -13.4446
            60  O6a O    27.6266  -24.8239
            61  O6a O    30.0286  -24.5959
            62  O6a O    32.3724  -12.2464
            63  O6a O    32.3841  -14.6485
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     3  10 1 #Down
            10    4  11 2
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    8  15 1 #Down
            15    9  16 1
            16   11  17 1
            17   12  18 1 #Down
            18   12  19 1 #Up
            19   13  20 1
            20   14  21 2
            21   15  22 1
            22   16  23 1
            23   16  24 2
            24   17  25 2
            25   17  26 1
            26   18  27 1
            27   20  28 1
            28   20  29 2
            29   21  30 1
            30   21  31 1
            31   22  32 1
            32   25  33 1
            33   25  34 1
            34   27  35 1
            35   30  36 1
            36   30  37 2
            37   32  38 1
            38   32  39 2
            39   33  40 1
            40   33  41 1 #Up
            41   33  42 1 #Down
            42   34  43 2
            43   35  44 1
            44   35  45 2
            45   36  46 1
            46   36  47 1 #Down
            47   37  48 1
            48   40  49 1 #Down
            49   41  50 1
            50   43  51 1
            51   46  52 1
            52   46  53 1
            53   47  54 1
            54   49  55 1
            55   50  56 1
            56   50  57 2
            57   54  58 1
            58   55  59 1
            59   58  60 1
            60   58  61 2
            61   59  62 1
            62   59  63 2
            63    8  11 1
            64   12  14 1
            65   40  43 1
            66   46  48 1
            67   48  51 2

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