KEGG   COMPOUND: C15527
Entry
C15527                      Compound                               

Name
Precorrin 1
Formula
C41H46N4O16
Exact mass
850.2909
Mol weight
850.8211
Structure
Reaction
Enzyme
Other DBs
PubChem: 17396519
ChEBI: 52469
NIKKAJI: J2.117.346K
KCF data

ATOM        61
            1   C2y C    27.1620  -17.3989
            2   C1y C    25.9212  -16.7349
            3   C1x C    28.4377  -16.9214
            4   N2x N    26.9347  -18.7737
            5   C1z C    24.9076  -17.7194
            6   C1b C    25.9388  -15.3368
            7   C8y C    29.6842  -17.4456
            8   C2y C    25.5484  -18.9892
            9   C1b C    23.5038  -17.7135
            10  C1a C    24.3834  -16.4263
            11  C1b C    24.7329  -14.6321
            12  C8y C    30.8900  -16.7291
            13  N4x N    29.9814  -18.8146
            14  C2x C    24.8786  -20.2766
            15  C6a C    22.8165  -16.4962
            16  C6a C    24.7503  -13.2283
            17  C8y C    31.9386  -17.6611
            18  C1b C    30.8843  -15.3137
            19  C8y C    31.3735  -18.9426
            20  C8y C    25.5484  -21.5581
            21  O6a O    21.4184  -16.4845
            22  O6a O    23.5212  -15.2845
            23  O6a O    23.5505  -12.5176
            24  O6a O    25.9678  -12.5409
            25  C1b C    33.3366  -17.6554
            26  C6a C    32.0958  -14.6147
            27  C1x C    31.8978  -20.2417
            28  C8y C    24.9076  -22.8163
            29  N4x N    26.9290  -21.7620
            30  C1b C    34.0240  -16.4379
            31  O6a O    32.0958  -13.2166
            32  O6a O    33.3133  -15.3078
            33  C8y C    31.3385  -21.5348
            34  C8y C    25.9154  -23.7832
            35  C1b C    23.5329  -23.0435
            36  C8y C    27.1562  -23.1484
            37  C6a C    35.4277  -16.4263
            38  C8y C    31.9445  -22.8105
            39  N4x N    29.9521  -21.7270
            40  C1b C    25.9038  -25.1872
            41  C6a C    23.0437  -24.3483
            42  C1x C    28.4377  -23.6260
            43  O6a O    36.1210  -15.2088
            44  O6a O    36.1384  -17.6378
            45  C8y C    30.9250  -23.7601
            46  C1b C    33.2957  -22.4377
            47  C8y C    29.6959  -23.1018
            48  C1b C    24.6747  -25.8919
            49  O6a O    21.6689  -24.5814
            50  O6a O    23.9290  -25.4260
            51  C1b C    31.0589  -25.1522
            52  C6a C    34.2861  -23.4163
            53  C6a C    24.6689  -27.3016
            54  C1b C    32.3404  -25.7347
            55  O6a O    35.6376  -23.0494
            56  O6a O    33.9366  -24.7736
            57  O6a O    23.4631  -27.9890
            58  O6a O    25.8746  -28.0007
            59  C6a C    32.4686  -27.1327
            60  O6a O    31.3211  -27.9366
            61  O6a O    33.7560  -27.7094
BOND        65
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1 #Up
            9     5  10 1 #Down
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   12  18 1
            18   13  19 1
            19   14  20 1
            20   15  21 1
            21   15  22 2
            22   16  23 1
            23   16  24 2
            24   17  25 1
            25   18  26 1
            26   19  27 1
            27   20  28 2
            28   20  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   28  34 1
            34   28  35 1
            35   29  36 1
            36   30  37 1
            37   33  38 2
            38   33  39 1
            39   34  40 1
            40   35  41 1
            41   36  42 1
            42   37  43 1
            43   37  44 2
            44   38  45 1
            45   38  46 1
            46   39  47 1
            47   40  48 1
            48   41  49 1
            49   41  50 2
            50   45  51 1
            51   46  52 1
            52   48  53 1
            53   51  54 1
            54   52  55 1
            55   52  56 2
            56   53  57 1
            57   53  58 2
            58   54  59 1
            59   59  60 1
            60   59  61 2
            61    5   8 1
            62   17  19 2
            63   34  36 2
            64   42  47 1
            65   45  47 2

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