KEGG   COMPOUND: C12413Help
Entry
C12413                      Compound                               

Name
Urdamycin A;
Kerriamycin B
Formula
C43H56O17
Exact mass
844.3518
Mol weight
844.8945
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: 98474-21-6
PubChem: 582803
ChEBI: 32279
KNApSAcK: C00017825
3DMET: B04496
NIKKAJI: J40.723B
KCF data Show

ATOM        60
            1   O1a O    39.8613  -22.4965
            2   C1z C    38.1250  -22.4962
            3   C1a C    38.9875  -23.9975
            4   C1y C    18.4963  -13.6732
            5   C1y C    17.3413  -14.3566
            6   C1y C    17.3542  -15.7054
            7   C1x C    18.5258  -16.3584
            8   C1y C    19.6811  -15.6750
            9   O2x O    19.6644  -14.3386
            10  O2a O    20.8492  -16.3227
            11  O1a O    16.2003  -16.3910
            12  O1a O    16.1721  -13.6971
            13  C1a C    18.4855  -12.3311
            14  C1y C    22.0101  -16.9967
            15  C1x C    22.0101  -18.3388
            16  C1x C    23.1774  -19.0144
            17  C1y C    24.3359  -18.3388
            18  O2x O    24.3359  -16.9967
            19  C1y C    23.1774  -16.3302
            20  C1a C    23.1796  -14.9881
            21  O2a O    25.4997  -19.0071
            22  C1y C    27.7957  -16.2894
            23  C1y C    26.6404  -16.9728
            24  C1y C    26.6536  -18.3218
            25  C1x C    27.8250  -18.9749
            26  C1y C    28.9799  -18.2915
            27  O2x O    28.9638  -16.9550
            28  C8y C    30.1484  -18.9394
            29  O1a O    25.4715  -16.3138
            30  C1a C    27.7844  -14.9475
            31  C1z C    36.8902  -20.3543
            32  C1z C    35.6576  -21.0665
            33  C5x C    35.6586  -22.4981
            34  C1x C    36.8924  -23.1995
            35  C1x C    38.1237  -21.0646
            36  C2y C    34.4252  -18.9208
            37  C2y C    34.4252  -20.3543
            38  C2x C    36.8943  -18.9208
            39  C2x C    35.6597  -18.2086
            40  C8x C    30.1432  -20.3635
            41  C8x C    31.2205  -20.9662
            42  C8y C    32.2886  -20.3635
            43  C5x C    33.3568  -20.9662
            44  C8y C    31.2114  -18.3183
            45  C8y C    32.2886  -18.9300
            46  C5x C    33.3479  -18.3092
            47  O1a O    31.2022  -16.9763
            48  O5x O    33.3388  -16.9671
            49  O5x O    33.3632  -22.1072
            50  O5x O    34.6992  -23.2882
            51  O1a O    38.0498  -19.6787
            52  O2a O    32.6994  -24.0700
            53  C1y C    29.2120  -24.7459
            54  C1y C    29.2120  -26.0880
            55  C1x C    30.3796  -26.7636
            56  C1x C    31.5380  -26.0880
            57  C1y C    31.5380  -24.7459
            58  O2x O    30.3796  -24.0795
            59  O1a O    28.0492  -26.7585
            60  C1a C    28.0514  -24.0719
BOND        67
            1     2   1 1 #Up
            2     2   3 1 #Down
            3    17  18 1
            4    18  19 1
            5    19  14 1
            6    31  32 1
            7    32  33 1
            8    33  34 1
            9    34   2 1
            10    2  35 1
            11   35  31 1
            12    6  11 1 #Up
            13   19  20 1 #Down
            14   14  10 1 #Down
            15    5   6 1
            16   36  37 2
            17   37  32 1
            18   31  38 1
            19   38  39 2
            20   39  36 1
            21   17  21 1 #Up
            22    5  12 1 #Down
            23   40  41 1
            24    6   7 1
            25   41  42 2
            26    4  13 1 #Up
            27   42  43 1
            28   43  37 1
            29   40  28 2
            30    7   8 1
            31   28  44 1
            32    8   9 1
            33   44  45 2
            34    9   4 1
            35   45  46 1
            36   46  36 1
            37   22  23 1
            38   44  47 1
            39   23  24 1
            40   46  48 2
            41   42  45 1
            42   24  25 1
            43   43  49 2
            44   25  26 1
            45   33  50 2
            46   26  27 1
            47   27  22 1
            48   31  51 1 #Up
            49   26  28 1 #Up
            50   32  52 1 #Up
            51   24  21 1 #Up
            52    8  10 1 #Up
            53   23  29 1 #Down
            54    4   5 1
            55   22  30 1 #Up
            56   14  15 1
            57   53  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   57  58 1
            62   58  53 1
            63   57  52 1 #Up
            64   15  16 1
            65   54  59 1 #Down
            66   16  17 1
            67   53  60 1 #Down

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