KEGG   COMPOUND: C06216Help
Entry
C06216                      Compound                               

Name
Celloheptaose
Formula
C42H72O36
Exact mass
1152.3803
Mol weight
1152.9995
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Starch and sucrose metabolism
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
KCF data Show

ATOM        78
            1   C1y C    25.2705  -20.6244
            2   C1y C    25.9472  -19.4046
            3   O2a O    23.6848  -20.5800
            4   C1y C    25.9803  -21.8220
            5   O2x O    27.3445  -19.3824
            6   C1b C    25.2374  -18.2070
            7   C1y C    22.2987  -20.6022
            8   C1y C    27.3776  -21.8111
            9   O1a O    25.2927  -23.0418
            10  C1y C    28.0652  -20.5909
            11  O1a O    23.8401  -18.2179
            12  O2x O    21.5780  -19.4746
            13  C1y C    21.6111  -21.8220
            14  O1a O    28.0874  -22.9974
            15  O2a O    29.4512  -20.5578
            16  C1y C    20.1807  -19.4268
            17  C1y C    20.2138  -21.8442
            18  O1a O    22.3209  -23.0196
            19  C1y C    30.8486  -20.5469
            20  C1y C    19.5041  -20.6466
            21  C1b C    19.4709  -18.2292
            22  O1a O    19.5262  -23.0530
            23  C1y C    31.5252  -19.3268
            24  C1y C    31.5583  -21.7445
            25  O2a O    18.1071  -20.6575
            26  O1a O    18.0736  -18.2401
            27  O2x O    32.9225  -19.3046
            28  C1b C    30.8154  -18.1182
            29  C1y C    32.9556  -21.7923
            30  O1a O    30.8708  -22.9530
            31  C1y C    16.7207  -20.6909
            32  C1y C    33.6432  -20.5025
            33  O1a O    29.4181  -18.1291
            34  O1a O    33.6654  -22.9199
            35  O2x O    16.0000  -19.5633
            36  C1y C    16.0331  -21.9108
            37  O2a O    35.0293  -20.4803
            38  C1y C    14.6027  -19.5043
            39  C1y C    14.6358  -21.9329
            40  O1a O    16.7429  -23.0974
            41  C1y C    36.4378  -20.4803
            42  C1y C    13.9264  -20.7241
            43  C1b C    13.8929  -18.3067
            44  O1a O    13.9485  -23.1418
            45  C1y C    37.1142  -19.2605
            46  C1y C    37.1473  -21.6779
            47  O2a O    12.3403  -20.6797
            48  O1a O    12.4956  -18.3179
            49  O2x O    38.5115  -19.2383
            50  C1b C    36.4044  -18.0626
            51  C1y C    38.5446  -21.6667
            52  O1a O    36.4600  -22.8977
            53  C1y C    10.9542  -20.7131
            54  C1y C    39.2322  -20.4469
            55  O1a O    35.0071  -18.0738
            56  O1a O    39.2543  -22.8533
            57  O2x O    10.2335  -19.5043
            58  C1y C    10.2666  -21.9329
            59  O2a O    40.6185  -20.4137
            60  C1y C     8.8362  -19.5265
            61  C1y C     8.8693  -21.9439
            62  O1a O    10.9764  -23.1196
            63  C1y C    42.0268  -20.4137
            64  C1y C     8.1596  -20.7463
            65  C1b C     8.1264  -18.3289
            66  O1a O     8.1817  -23.1637
            67  C1y C    42.7031  -19.1939
            68  C1y C    42.7366  -21.6223
            69  O1a O     6.7626  -20.7575
            70  O1a O     6.7291  -18.3398
            71  O2x O    44.1004  -19.1827
            72  C1b C    41.9934  -17.9963
            73  C1y C    44.1339  -21.6001
            74  O1a O    42.0490  -22.8311
            75  C1y C    44.8214  -20.3803
            76  O1a O    40.5964  -18.0073
            77  O1a O    44.8436  -22.7980
            78  O1a O    46.2075  -20.3472
BOND        84
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   19  15 1 #Down
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1 #Down
            25   21  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1
            29   24  30 1 #Up
            30   31  25 1 #Up
            31   27  32 1
            32   28  33 1
            33   29  34 1 #Down
            34   31  35 1
            35   31  36 1
            36   32  37 1 #Up
            37   35  38 1
            38   36  39 1
            39   36  40 1 #Down
            40   41  37 1 #Down
            41   38  42 1
            42   38  43 1 #Up
            43   39  44 1 #Up
            44   41  45 1
            45   41  46 1
            46   42  47 1 #Down
            47   43  48 1
            48   45  49 1
            49   45  50 1 #Up
            50   46  51 1
            51   46  52 1 #Up
            52   53  47 1 #Up
            53   49  54 1
            54   50  55 1
            55   51  56 1 #Down
            56   53  57 1
            57   53  58 1
            58   54  59 1 #Up
            59   57  60 1
            60   58  61 1
            61   58  62 1 #Down
            62   63  59 1 #Down
            63   60  64 1
            64   60  65 1 #Up
            65   61  66 1 #Up
            66   63  67 1
            67   63  68 1
            68   64  69 1 #Down
            69   65  70 1
            70   67  71 1
            71   67  72 1 #Up
            72   68  73 1
            73   68  74 1 #Up
            74   71  75 1
            75   72  76 1
            76   73  77 1 #Down
            77   75  78 1 #Up
            78    8  10 1
            79   17  20 1
            80   29  32 1
            81   39  42 1
            82   51  54 1
            83   61  64 1
            84   73  75 1

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