KEGG   COMPOUND: C06406Help
Entry
C06406                      Compound                               

Name
Precorrin 3B
Formula
C43H50N4O17
Exact mass
894.3171
Mol weight
894.8737
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
1.14.13.83      2.1.1.131
Other DBs
PubChem: 8641
ChEBI: 27711
3DMET: B02013
NIKKAJI: J2.767.299J
KCF data Show

ATOM        64
            1   C1z C    24.9252  -17.6981
            2   C1z C    24.2951  -16.4436
            3   C1z C    24.2658  -18.9758
            4   N1x N    26.3022  -17.4822
            5   O7x O    22.9297  -17.2020
            6   C1y C    25.2927  -15.4634
            7   C1x C    23.4549  -15.5858
            8   C1a C    24.5051  -14.5416
            9   C8y C    24.9252  -20.2478
            10  C1a C    23.2739  -19.9561
            11  O1a O    22.9238  -18.6199
            12  C2y C    26.5298  -16.1226
            13  C7x C    22.2470  -16.0116
            14  C1b C    25.3160  -14.0805
            15  C8y C    24.2951  -21.4964
            16  N4x N    26.3022  -20.4521
            17  C2x C    27.7958  -15.6500
            18  O6a O    20.9050  -15.6441
            19  C1b C    24.1199  -13.3745
            20  C8y C    25.2869  -22.4533
            21  C1b C    22.9297  -21.7181
            22  C8y C    26.5181  -21.8232
            23  C2y C    29.0328  -16.1636
            24  C6a C    24.1375  -11.9859
            25  C1b C    25.2753  -23.8419
            26  C6a C    22.4395  -23.0135
            27  C1x C    27.7958  -22.2957
            28  C1z C    30.2230  -15.4575
            29  N2x N    29.3186  -17.5230
            30  O6a O    22.9414  -11.2799
            31  O6a O    25.3453  -11.3033
            32  C1b C    24.0617  -24.5421
            33  O6a O    21.0801  -23.2409
            34  O6a O    23.3206  -24.0812
            35  C8y C    29.0445  -21.7764
            36  C1y C    31.2675  -16.3795
            37  C1b C    30.7830  -14.2671
            38  C1a C    29.3070  -14.2033
            39  C2y C    30.7015  -17.6571
            40  C6a C    24.0558  -25.9365
            41  C8y C    30.2580  -22.4299
            42  N4x N    29.2895  -20.4170
            43  C1b C    32.6503  -16.3735
            44  C6a C    31.9791  -13.5729
            45  C2x C    31.2266  -18.9409
            46  O6a O    22.8597  -26.6250
            47  O6a O    25.2519  -26.6367
            48  C8y C    31.2733  -21.4907
            49  C1b C    30.3922  -23.8069
            50  C8y C    30.6665  -20.2245
            51  C1b C    33.3388  -15.1717
            52  O6a O    31.9734  -12.1842
            53  O6a O    33.1928  -14.2556
            54  C1b C    32.6095  -21.1230
            55  C1b C    31.6584  -24.3903
            56  C6a C    34.7274  -15.1600
            57  C6a C    33.5897  -22.0915
            58  C6a C    31.7926  -25.7733
            59  O6a O    35.4159  -13.9463
            60  O6a O    35.4334  -16.3619
            61  O6a O    34.9317  -21.7240
            62  O6a O    33.2454  -23.4394
            63  O6a O    30.6491  -26.5668
            64  O6a O    33.0645  -26.3509
BOND        69
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1 #Up
            10    3  11 1 #Down
            11    4  12 1
            12    5  13 1
            13    6  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   12  17 2
            17   13  18 2
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   23  29 2
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   26  33 1
            33   26  34 2
            34   27  35 1
            35   28  36 1
            36   28  37 1 #Up
            37   28  38 1 #Down
            38   29  39 1
            39   32  40 1
            40   35  41 2
            41   35  42 1
            42   36  43 1 #Down
            43   37  44 1
            44   39  45 2
            45   40  46 1
            46   40  47 2
            47   41  48 1
            48   41  49 1
            49   42  50 1
            50   43  51 1
            51   44  52 1
            52   44  53 2
            53   48  54 1
            54   49  55 1
            55   51  56 1
            56   54  57 1
            57   55  58 1
            58   56  59 1
            59   56  60 2
            60   57  61 1
            61   57  62 2
            62   58  63 1
            63   58  64 2
            64    6  12 1
            65    7  13 1
            66   20  22 2
            67   36  39 1
            68   45  50 1
            69   48  50 2

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