KEGG   COMPOUND: C05772Help
Entry
C05772                      Compound                               

Name
Precorrin 3A
Formula
C43H50N4O16
Exact mass
878.3222
Mol weight
878.8743
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Metabolic pathways
Enzyme
1.14.13.83      2.1.1.130
Other DBs
PubChem: 
ChEBI: 
3DMET: 
KCF data Show

ATOM        63
            1   C1z C    24.2897  -16.4598
            2   C2y C    24.9246  -17.7294
            3   C1y C    25.2974  -15.4754
            4   C1b C    22.8861  -16.4538
            5   C1a C    23.7656  -15.1668
            6   C2y C    24.2548  -19.0166
            7   N1x N    26.3166  -17.5139
            8   C2y C    26.5437  -16.1393
            9   C1b C    25.3205  -14.0775
            10  C6a C    22.1989  -15.2367
            11  C8y C    24.9246  -20.2979
            12  C1a C    22.8628  -19.0224
            13  C2x C    27.8193  -15.6619
            14  C1b C    24.1151  -13.3729
            15  O6a O    20.7951  -15.2251
            16  O6a O    22.9035  -14.0252
            17  C8y C    24.2840  -21.5502
            18  N4x N    26.3108  -20.5018
            19  C2y C    29.0656  -16.1860
            20  C6a C    24.1267  -11.9693
            21  C8y C    25.2974  -22.5227
            22  C1b C    22.9094  -21.7831
            23  C8y C    26.5321  -21.8880
            24  C1z C    30.2713  -15.4696
            25  N2x N    29.3627  -17.5548
            26  O6a O    22.9268  -11.2587
            27  O6a O    25.3498  -11.2761
            28  C1b C    25.2798  -23.9265
            29  C6a C    22.4260  -23.0877
            30  C1x C    27.8193  -22.3655
            31  C1y C    31.3196  -16.3957
            32  C1b C    30.2654  -14.0544
            33  C1a C    28.9258  -15.1202
            34  C2y C    30.7547  -17.6828
            35  C1b C    24.0568  -24.6311
            36  O6a O    21.0515  -23.3208
            37  O6a O    23.3113  -24.1653
            38  C8y C    29.0773  -21.8414
            39  C1b C    32.7175  -16.3898
            40  C6a C    31.4769  -13.3555
            41  C2x C    31.2788  -18.9817
            42  C6a C    24.0509  -26.0349
            43  C8y C    30.3003  -22.4996
            44  N4x N    29.3335  -20.4668
            45  C1b C    33.4048  -15.1725
            46  O6a O    31.4710  -11.9576
            47  O6a O    32.6942  -14.0485
            48  C8y C    30.7197  -20.2746
            49  O6a O    22.8395  -26.7279
            50  O6a O    25.2565  -26.7396
            51  C8y C    31.3254  -21.5502
            52  C1b C    30.3002  -23.8915
            53  C6a C    34.8083  -15.1668
            54  C1b C    32.6766  -21.1774
            55  C1b C    31.5757  -24.4739
            56  O6a O    35.5014  -13.9495
            57  O6a O    35.5189  -16.3782
            58  C6a C    33.6667  -22.1559
            59  C6a C    31.5697  -25.8717
            60  O6a O    35.0180  -21.7890
            61  O6a O    33.3173  -23.5130
            62  O6a O    30.4223  -26.6755
            63  O6a O    32.8567  -26.4484
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 2
            16   11  17 2
            17   11  18 1
            18   13  19 1
            19   14  20 1
            20   17  21 1
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   19  25 2
            25   20  26 1
            26   20  27 2
            27   21  28 1
            28   22  29 1
            29   23  30 1
            30   24  31 1
            31   24  32 1 #Up
            32   24  33 1 #Down
            33   25  34 1
            34   28  35 1
            35   29  36 1
            36   29  37 2
            37   30  38 1
            38   31  39 1 #Down
            39   32  40 1
            40   34  41 2
            41   35  42 1
            42   38  43 2
            43   38  44 1
            44   39  45 1
            45   40  46 1
            46   40  47 2
            47   41  48 1
            48   42  49 1
            49   42  50 2
            50   43  51 1
            51   43  52 1
            52   45  53 1
            53   51  54 1
            54   52  55 1
            55   53  56 1
            56   53  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    7   8 1
            64   21  23 2
            65   31  34 1
            66   44  48 1
            67   48  51 2

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