KEGG   COMPOUND: C03357Help
Entry
C03357                      Compound                               

Name
4-Acetamidobutanoyl-CoA
Formula
C27H45N8O18P3S
Exact mass
894.1785
Mol weight
894.6753
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 6196
ChEBI: 28684
NIKKAJI: J2.741.590C
KCF data Show

ATOM        57
            1   C1b C    14.2800  -19.4600
            2   C5a C    15.5400  -18.7600
            3   S2a S    16.7300  -19.4600
            4   C1b C    17.9200  -18.7600
            5   C1b C    19.1800  -19.4600
            6   N1b N    20.3700  -18.7600
            7   C5a C    21.5600  -19.4600
            8   C1b C    22.8200  -18.7600
            9   C1b C    24.0100  -19.4600
            10  N1b N    25.2000  -18.7600
            11  C5a C    26.4600  -19.4600
            12  C1c C    27.6500  -18.7600
            13  C1d C    28.8400  -19.4600
            14  C1b C    30.0300  -18.7600
            15  O2b O    31.2900  -19.4600
            16  O5a O    15.5400  -17.3600
            17  O5a O    21.5600  -20.8600
            18  O5a O    26.4600  -20.8600
            19  O1a O    27.6500  -17.3600
            20  C1a C    28.8400  -18.0600
            21  C1a C    28.8400  -20.8600
            22  P1b P    32.6900  -19.4600
            23  O1c O    34.0900  -19.4600
            24  O1c O    32.6900  -20.8600
            25  C1y C    26.1800  -14.4900
            26  C1y C    27.5800  -14.4900
            27  C1y C    28.0000  -13.1600
            28  O2x O    26.8800  -12.3200
            29  C1y C    25.7600  -13.1600
            30  C1b C    29.3300  -12.7400
            31  O1a O    25.3400  -15.6100
            32  O2b O    28.4200  -15.6100
            33  P1b P    29.8200  -15.6100
            34  O1c O    29.8200  -14.2100
            35  O1c O    31.2200  -15.6100
            36  O1c O    29.8200  -17.0100
            37  C8y C    21.6300  -11.3400
            38  C8y C    21.6300  -12.7400
            39  N4y N    24.0800  -12.7400
            40  C8x C    24.0800  -11.3400
            41  N5x N    22.8200  -10.6400
            42  C8y C    20.4400  -10.6400
            43  N5x N    19.1800  -11.3400
            44  C8x C    19.1800  -12.7400
            45  N5x N    20.4400  -13.4400
            46  N1a N    20.4400   -9.2400
            47  O2b O    31.2900  -13.1600
            48  P1b P    32.6900  -13.1600
            49  O1c O    32.6900  -11.7600
            50  O1c O    34.0900  -13.1600
            51  O2c O    32.6900  -16.3800
            52  C1b C    13.0900  -18.7600
            53  C1b C    11.9000  -19.4600
            54  N1b N    10.6400  -18.7600
            55  C5a C     9.4500  -19.4600
            56  C1a C     8.2600  -18.7600
            57  O5a O     9.4500  -20.8600
BOND        59
            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 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   55  57 2

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