KEGG   COMPOUND: C12406Help
Entry
C12406                      Compound                               

Name
Urdamycin B
Formula
C37H44O13
Exact mass
696.2782
Mol weight
696.7375
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
2.4.1.-
Other DBs
CAS: 104542-46-3
PubChem: 582796
ChEBI: 32280
KNApSAcK: C00017826
3DMET: B04489
NIKKAJI: J533.512D
KCF data Show

ATOM        50
            1   C1a C    39.3754  -25.5002
            2   C1z C    38.6456  -24.2298
            3   O1a O    40.1148  -24.2301
            4   C1y C    18.2688  -15.0751
            5   C1y C    17.0697  -15.7847
            6   C1y C    17.0833  -17.1851
            7   C1x C    18.2995  -17.8631
            8   C1y C    19.4987  -17.1535
            9   O2x O    19.5518  -15.7660
            10  O2a O    20.7117  -17.8260
            11  O1a O    15.8853  -17.8968
            12  O1a O    15.8560  -15.1004
            13  C1a C    18.2574  -13.6817
            14  C1y C    21.9167  -18.5258
            15  C1x C    21.9167  -19.9192
            16  C1x C    23.1289  -20.6206
            17  C1y C    24.3316  -19.9192
            18  O2x O    24.3316  -18.5258
            19  C1y C    23.1289  -17.8337
            20  C1a C    23.1314  -16.4403
            21  O2a O    25.5399  -20.6133
            22  C1y C    27.9236  -17.7917
            23  C1y C    26.7245  -18.5012
            24  C1y C    26.7379  -19.9017
            25  C1x C    27.9541  -20.5796
            26  C1y C    29.1535  -19.8701
            27  O2x O    29.1364  -18.4826
            28  C8y C    30.3665  -20.5426
            29  O1a O    25.5105  -17.8167
            30  C1a C    27.9120  -16.3982
            31  C8y C    37.3661  -22.0117
            32  C8y C    36.0865  -22.7511
            33  C5x C    36.0874  -24.2376
            34  C1x C    37.3682  -24.9656
            35  C1x C    38.6467  -22.7493
            36  C8y C    34.8068  -20.5237
            37  C8y C    34.8068  -22.0117
            38  C8x C    37.3702  -20.5237
            39  C8x C    36.0885  -19.7843
            40  C8x C    30.3610  -22.0213
            41  C8x C    31.4796  -22.6469
            42  C8y C    32.5887  -22.0213
            43  C5x C    33.6977  -22.6469
            44  C8y C    31.4701  -19.8981
            45  C8y C    32.5887  -20.5330
            46  C5x C    33.6882  -19.8885
            47  O1a O    31.5305  -18.5046
            48  O5x O    33.6786  -18.4951
            49  O5x O    33.7041  -24.0499
            50  O5x O    34.8730  -24.9123
BOND        56
            1     2   3 1 #Up
            2     2   1 1 #Down
            3    26  28 1 #Up
            4    24  21 1 #Up
            5     8  10 1 #Up
            6    23  29 1 #Down
            7     4   5 1
            8    22  30 1 #Up
            9    14  15 1
            10   15  16 1
            11   16  17 1
            12   17  18 1
            13   18  19 1
            14   19  14 1
            15   31  32 2
            16   32  33 1
            17   33  34 1
            18   34   2 1
            19    2  35 1
            20   35  31 1
            21    6  11 1 #Up
            22   19  20 1 #Down
            23   14  10 1 #Down
            24    5   6 1
            25   36  37 2
            26   37  32 1
            27   31  38 1
            28   38  39 2
            29   39  36 1
            30   17  21 1 #Up
            31    5  12 1 #Down
            32   40  41 1
            33    6   7 1
            34   41  42 2
            35    4  13 1 #Up
            36   42  43 1
            37   43  37 1
            38   40  28 2
            39    7   8 1
            40   28  44 1
            41    8   9 1
            42   44  45 2
            43    9   4 1
            44   45  46 1
            45   46  36 1
            46   22  23 1
            47   44  47 1
            48   23  24 1
            49   46  48 2
            50   42  45 1
            51   24  25 1
            52   43  49 2
            53   25  26 1
            54   33  50 2
            55   26  27 1
            56   27  22 1

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