KEGG   COMPOUND: C02247Help
Entry
C02247                      Compound                               

Name
Anthraniloyl-CoA;
2-Aminobenzoyl-CoA
Formula
C28H41N8O17P3S
Exact mass
886.1523
Mol weight
886.6548
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Aminobenzoate degradation
Microbial metabolism in diverse environments
Enzyme
1.4.-.-         1.14.13.40      2.3.1.230       2.3.1.232       
6.2.1.32
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C8y C    29.6324  -34.0200
            2   C5a C    30.8449  -33.3200
            3   S2a S    32.0573  -34.0200
            4   C1b C    33.2697  -33.3200
            5   C1b C    34.4822  -34.0200
            6   N1b N    35.6946  -33.3200
            7   C5a C    36.9070  -34.0200
            8   C1b C    38.1195  -33.3200
            9   C1b C    39.3319  -34.0200
            10  N1b N    40.5444  -33.3200
            11  C5a C    41.7568  -34.0200
            12  C1c C    42.9692  -33.3200
            13  C1d C    44.1817  -34.0200
            14  C1b C    45.3941  -33.3200
            15  O2b O    46.6065  -34.0200
            16  O5a O    30.8449  -31.9202
            17  O5a O    36.9070  -35.4199
            18  O5a O    41.7568  -35.4196
            19  O1a O    42.9692  -31.9200
            20  C1a C    44.1817  -32.6200
            21  C1a C    44.1817  -35.4200
            22  P1b P    48.0065  -34.0200
            23  O1c O    49.4065  -34.0200
            24  O1c O    48.0065  -35.4200
            25  C1y C    41.5100  -29.0500
            26  C1y C    42.9100  -29.0500
            27  C1y C    43.3426  -27.7185
            28  O2x O    42.2100  -26.8956
            29  C1y C    41.0774  -27.7185
            30  C1b C    44.6622  -27.2897
            31  O1a O    40.6871  -30.1826
            32  O2b O    43.7329  -30.1826
            33  P1b P    45.1329  -30.1826
            34  O1c O    45.1329  -28.7826
            35  O1c O    46.5329  -30.1826
            36  O1c O    45.1329  -31.5826
            37  C8y C    36.9600  -25.9000
            38  C8y C    36.9600  -27.3000
            39  N4y N    39.3849  -27.3000
            40  C8x C    39.3849  -25.9000
            41  N5x N    38.1724  -25.2000
            42  C8y C    35.7476  -25.2000
            43  N5x N    34.5351  -25.9000
            44  C8x C    34.5351  -27.3000
            45  N5x N    35.7476  -28.0000
            46  N1a N    35.7476  -23.8002
            47  O2b O    46.6445  -27.7220
            48  P1b P    48.0445  -27.7220
            49  O1c O    48.0445  -26.3220
            50  O1c O    49.4445  -27.7220
            51  O2c O    48.0445  -30.9420
            52  C8y C    28.4033  -33.3102
            53  C8x C    27.1908  -34.0100
            54  C8x C    27.1906  -35.4100
            55  C8x C    28.4197  -36.1198
            56  C8x C    29.6322  -35.4200
            57  N1a N    28.4036  -31.9201
BOND        60
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 2
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59    1  56 1
            60   52  57 1

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