KEGG   COMPOUND: C12092Help
Entry
C12092                      Compound                               

Name
N-Methylanthraniloyl-CoA
Formula
C29H43N8O17P3S
Exact mass
900.168
Mol weight
900.6814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Acridone alkaloid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
2.3.1.159       6.2.1.32
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   S2a S    13.5100  -20.5800
            2   C1b C    14.7000  -19.8800
            3   C1b C    15.9600  -20.5800
            4   N1b N    17.1500  -19.8800
            5   C5a C    18.3400  -20.5800
            6   C1b C    19.6000  -19.8800
            7   C1b C    20.7900  -20.5800
            8   N1b N    21.9800  -19.8800
            9   C5a C    23.2400  -20.5800
            10  C1c C    24.4300  -19.8800
            11  C1d C    25.6200  -20.5800
            12  C1b C    26.8100  -19.8800
            13  O2b O    28.0700  -20.5800
            14  O5a O    18.3400  -21.9800
            15  O5a O    23.2400  -21.9800
            16  O1a O    24.4300  -18.4800
            17  C1a C    25.6200  -19.1800
            18  C1a C    25.6200  -21.9800
            19  P1b P    29.4700  -20.5800
            20  O1c O    30.8700  -20.5800
            21  O1c O    29.4700  -21.9800
            22  C1y C    22.9600  -15.6100
            23  C1y C    24.3600  -15.6100
            24  C1y C    24.7800  -14.2800
            25  O2x O    23.6600  -13.4400
            26  C1y C    22.5400  -14.2800
            27  C1b C    26.1100  -13.8600
            28  O1a O    22.1200  -16.7300
            29  O2b O    25.2000  -16.7300
            30  P1b P    26.6000  -16.7300
            31  O1c O    26.6000  -15.3300
            32  O1c O    28.0000  -16.7300
            33  O1c O    26.6000  -18.1300
            34  C8y C    18.4100  -12.4600
            35  C8y C    18.4100  -13.8600
            36  N4y N    20.8600  -13.8600
            37  C8x C    20.8600  -12.4600
            38  N5x N    19.6000  -11.7600
            39  C8y C    17.2200  -11.7600
            40  N5x N    15.9600  -12.4600
            41  C8x C    15.9600  -13.8600
            42  N5x N    17.2200  -14.5600
            43  N1a N    17.2200  -10.3600
            44  O2b O    28.0700  -14.2800
            45  P1b P    29.4700  -14.2800
            46  O1c O    29.4700  -12.8800
            47  O1c O    30.8700  -14.2800
            48  O2c O    29.4700  -17.5000
            49  C5a C    12.3900  -19.9500
            50  C8y C    11.2700  -20.5800
            51  O5a O    12.3900  -18.6900
            52  C8y C    10.1500  -19.9500
            53  C8x C    11.2700  -21.9100
            54  C8x C     9.0300  -20.5800
            55  N1b N    10.1500  -18.6900
            56  C8x C    10.1500  -22.5400
            57  C8x C     9.0300  -21.9100
            58  C1a C    11.2700  -17.9900
BOND        61
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   50  53 2
            56   52  54 2
            57   52  55 1
            58   53  56 1
            59   54  57 1
            60   56  57 2
            61   55  58 1

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