KEGG   COMPOUND: C16273
Entry
C16273                      Compound                               

Name
3-Hydroxy-5-oxohexanoyl-CoA
Formula
C27H44N7O19P3S
Exact mass
895.1626
Mol weight
895.66
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
2.3.1.-         2.8.3.8
Other DBs
PubChem: 47205581
ChEBI: 20052
NIKKAJI: J2.799.346J
KCF data

ATOM        57
            1   C1a C     7.0000  -20.8600
            2   C5a C     8.2600  -20.1600
            3   C1b C     9.4500  -20.8600
            4   C1c C    10.6400  -20.1600
            5   C1b C    11.9000  -20.8600
            6   O1a O    10.6400  -18.7600
            7   O5a O     8.2600  -18.7600
            8   C5a C    13.1600  -20.1600
            9   S2a S    14.3500  -20.8600
            10  C1b C    15.5400  -20.1600
            11  C1b C    16.8000  -20.8600
            12  N1b N    17.9900  -20.1600
            13  C5a C    19.1800  -20.8600
            14  C1b C    20.4400  -20.1600
            15  C1b C    21.6300  -20.8600
            16  N1b N    22.8200  -20.1600
            17  C5a C    24.0800  -20.8600
            18  C1c C    25.2700  -20.1600
            19  C1d C    26.4600  -20.8600
            20  C1b C    27.6500  -20.1600
            21  O2b O    28.9100  -20.8600
            22  O5a O    13.1600  -18.7600
            23  O5a O    19.1800  -22.2600
            24  O5a O    24.0800  -22.2600
            25  O1a O    25.2700  -18.7600
            26  C1a C    26.4600  -19.4600
            27  C1a C    26.4600  -22.2600
            28  P1b P    30.3100  -20.8600
            29  O1c O    31.7100  -20.8600
            30  O1c O    30.3100  -22.2600
            31  C1y C    23.8000  -15.8900
            32  C1y C    25.2000  -15.8900
            33  C1y C    25.6200  -14.5600
            34  O2x O    24.5000  -13.7200
            35  C1y C    23.3800  -14.5600
            36  C1b C    26.9500  -14.1400
            37  O1a O    22.9600  -17.0100
            38  O2b O    26.0400  -17.0100
            39  P1b P    27.4400  -17.0100
            40  O1c O    27.4400  -15.6100
            41  O1c O    28.8400  -17.0100
            42  O1c O    27.4400  -18.4100
            43  C8y C    19.2500  -12.7400
            44  C8y C    19.2500  -14.1400
            45  N4y N    21.7000  -14.1400
            46  C8x C    21.7000  -12.7400
            47  N5x N    20.4400  -12.0400
            48  C8y C    18.0600  -12.0400
            49  N5x N    16.8000  -12.7400
            50  C8x C    16.8000  -14.1400
            51  N5x N    18.0600  -14.8400
            52  N1a N    18.0600  -10.6400
            53  O2b O    28.9100  -14.5600
            54  P1b P    30.3100  -14.5600
            55  O1c O    30.3100  -13.1600
            56  O1c O    31.7100  -14.5600
            57  O2c O    30.3100  -17.7800
BOND        59
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     2   7 2
            7     5   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   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    8  22 2
            22   13  23 2
            23   17  24 2
            24   18  25 1 #Down
            25   19  26 1
            26   19  27 1
            27   21  28 1
            28   28  29 2
            29   28  30 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   31  35 1
            35   33  36 1 #Down
            36   31  37 1 #Up
            37   32  38 1 #Up
            38   38  39 1
            39   39  40 1
            40   39  41 1
            41   39  42 2
            42   43  44 2
            43   44  45 1
            44   45  46 1
            45   46  47 2
            46   43  47 1
            47   43  48 1
            48   48  49 2
            49   49  50 1
            50   50  51 2
            51   44  51 1
            52   48  52 1
            53   35  45 1 #Down
            54   36  53 1
            55   53  54 1
            56   54  55 1
            57   54  56 2
            58   54  57 1
            59   28  57 1

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