KEGG   COMPOUND: C21156
Entry
C21156                      Compound                               

Name
Acarbose 7IV-phosphate;
Acarbose 7-phosphate
Formula
C25H44NO21P
Exact mass
725.2143
Mol weight
725.5847
Structure
Reaction
Pathway
map00525  Acarbose and validamycin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00814  Acarbose biosynthesis, sedoheptulopyranose-7P => acarbose
Enzyme
Other DBs
PubChem: 313369416
KCF data

ATOM        48
            1   C1y C    10.1130  -17.5966
            2   C1y C    10.1130  -18.9990
            3   C1y C    11.3751  -19.7002
            4   C1y C    12.5672  -18.9990
            5   C2x C    12.5672  -17.5966
            6   C2y C    11.3751  -16.8954
            7   C1b C    11.3751  -15.4931
            8   O2b O    12.5672  -14.7919
            9   O1a O     8.9209  -19.7002
            10  O1a O    11.3751  -21.1026
            11  O1a O     8.9209  -16.8954
            12  N1b N    13.8293  -19.7002
            13  C1y C    15.0213  -18.9990
            14  C1y C    16.2134  -19.7002
            15  C1y C    17.4054  -18.9990
            16  C1y C    17.4054  -17.5966
            17  O2x O    16.2134  -16.8954
            18  C1y C    15.0213  -17.5966
            19  O2a O    18.6675  -16.8954
            20  O1a O    16.2134  -21.1026
            21  O1a O    18.5974  -19.7002
            22  C1a C    13.7592  -16.8954
            23  C1y C    19.8596  -14.7919
            24  C1y C    19.8596  -16.1943
            25  C1y C    21.0516  -16.8954
            26  C1y C    22.3138  -16.1943
            27  C1y C    22.3138  -14.7919
            28  O2x O    21.0516  -14.0907
            29  C1b C    18.6675  -14.0907
            30  O1a O    21.0516  -18.2978
            31  O1a O    23.5058  -16.8954
            32  O2a O    23.5058  -14.0907
            33  O1a O    17.4755  -14.7919
            34  C1y C    24.6978  -11.9871
            35  C1y C    24.6978  -13.3895
            36  C1y C    25.8899  -14.0907
            37  C1y C    27.1520  -13.3895
            38  C1y C    27.1520  -11.9871
            39  O2x O    25.8899  -11.2859
            40  C1b C    23.5058  -11.2859
            41  O1a O    25.8899  -15.4931
            42  O1a O    28.3440  -11.2859
            43  O1a O    28.3440  -14.0907
            44  O1a O    22.3138  -11.9871
            45  P1b P    12.5672  -13.3919
            46  O1c O    12.5672  -11.9919
            47  O1c O    11.2002  -13.3914
            48  O1c O    13.9998  -13.3924
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1 #Down
            11    1  11 1 #Down
            12    4  12 1 #Down
            13   13  12 1 #Down
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   16  19 1 #Down
            21   14  20 1 #Up
            22   15  21 1 #Down
            23   18  22 1 #Up
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   23  28 1
            30   23  29 1 #Up
            31   25  30 1 #Up
            32   24  19 1 #Down
            33   26  31 1 #Down
            34   27  32 1 #Down
            35   29  33 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   34  39 1
            42   34  40 1 #Up
            43   36  41 1 #Up
            44   38  42 1 #Either
            45   37  43 1 #Down
            46   35  32 1 #Down
            47   40  44 1
            48    8  45 1
            49   45  46 2
            50   45  47 1
            51   45  48 1

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