KEGG   COMPOUND: C06399Help
Entry
C06399                      Compound                               

Name
Hydrogenobyrinate;
Hydrogenobyrinic acid
Formula
C45H60N4O14
Exact mass
880.4106
Mol weight
880.9763
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
5.4.99.61       6.3.5.9
Other DBs
PubChem: 8635
ChEBI: 17926
3DMET: B05190
NIKKAJI: J2.144.750A
KCF data Show

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  C6a C    19.2280  -13.5147
            17  C2y C    24.7803  -13.9354
            18  C1b C    22.2671  -22.1061
            19  C1a C    23.5356  -21.4217
            20  C6a C    19.4442  -21.2820
            21  C2y C    24.7803  -20.5632
            22  C1b C    21.1215  -11.6737
            23  O6a O    17.8486  -13.5088
            24  O6a 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  C6a 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  O6a O    28.3922  -10.2710
            57  O6a O    29.5961  -12.3458
            58  C6a C    28.7603  -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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