KEGG   COMPOUND: C06723Help
Entry
C06723                      Compound                               

Name
6-Carboxyhex-2-enoyl-CoA;
2,3-Didehydro-pimeloyl-CoA
Formula
C28H44N7O19P3S
Exact mass
907.1626
Mol weight
907.6707
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.62        4.2.1.-
Other DBs
PubChem: 8946
ChEBI: 15503
NIKKAJI: J2.763.701I
KCF data Show

ATOM        58
            1   C2b C    32.6200  -30.7300
            2   C5a C    33.8800  -30.0300
            3   S2a S    35.0700  -30.7300
            4   C1b C    36.2600  -30.0300
            5   C1b C    37.5200  -30.7300
            6   N1b N    38.7100  -30.0300
            7   C5a C    39.9000  -30.7300
            8   C1b C    41.1600  -30.0300
            9   C1b C    42.3500  -30.7300
            10  N1b N    43.5400  -30.0300
            11  C5a C    44.8000  -30.7300
            12  C1c C    45.9900  -30.0300
            13  C1d C    47.1800  -30.7300
            14  C1b C    48.3700  -30.0300
            15  O2b O    49.6300  -30.7300
            16  O5a O    33.8800  -28.6300
            17  O5a O    39.9000  -32.1300
            18  O5a O    44.8000  -32.1300
            19  O1a O    45.9900  -28.6300
            20  C1a C    47.1800  -29.3300
            21  C1a C    47.1800  -32.1300
            22  P1b P    51.0300  -30.7300
            23  O1c O    52.4300  -30.7300
            24  O1c O    51.0300  -32.1300
            25  C1y C    44.5200  -25.7600
            26  C1y C    45.9200  -25.7600
            27  C1y C    46.3400  -24.4300
            28  O2x O    45.2200  -23.5900
            29  C1y C    44.1000  -24.4300
            30  C1b C    47.6700  -24.0100
            31  O1a O    43.6800  -26.8800
            32  O2b O    46.7600  -26.8800
            33  P1b P    48.1600  -26.8800
            34  O1c O    48.1600  -25.4800
            35  O1c O    49.5600  -26.8800
            36  O1c O    48.1600  -28.2800
            37  C8y C    39.9700  -22.6100
            38  C8y C    39.9700  -24.0100
            39  N4y N    42.4200  -24.0100
            40  C8x C    42.4200  -22.6100
            41  N5x N    41.1600  -21.9100
            42  C8y C    38.7800  -21.9100
            43  N5x N    37.5200  -22.6100
            44  C8x C    37.5200  -24.0100
            45  N5x N    38.7800  -24.7100
            46  N1a N    38.7800  -20.5100
            47  O2b O    49.6300  -24.4300
            48  P1b P    51.0300  -24.4300
            49  O1c O    51.0300  -23.0300
            50  O1c O    52.4300  -24.4300
            51  O2c O    51.0300  -27.6500
            52  C2b C    31.4300  -30.0300
            53  C1b C    30.2400  -30.7300
            54  C1b C    29.0500  -30.0300
            55  C1b C    27.7900  -30.7300
            56  C6a C    26.6000  -30.0300
            57  O6a O    25.4100  -30.7300
            58  O6a O    26.6000  -28.6300
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 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   56  58 2

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