KEGG   COMPOUND: C16466
Entry
C16466                      Compound                               

Name
7-Methyl-3-oxo-6-octenoyl-CoA
Formula
C30H48N7O18P3S
Exact mass
919.1989
Mol weight
919.7245
Structure
Reaction
Pathway
map00281  Geraniol degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.16        4.1.3.4         4.1.3.26
Other DBs
PubChem: 47205762
ChEBI: 52043
NIKKAJI: J2.802.632C
KCF data

ATOM        59
            1   C1b C    13.0900  -21.0700
            2   C5a C    11.9000  -20.3700
            3   C1b C    10.6400  -21.0700
            4   C1b C     9.4500  -20.3700
            5   C2b C     8.2600  -21.0700
            6   C2c C     7.0000  -20.3700
            7   C1a C     5.8100  -21.0700
            8   O5a O    11.9000  -18.9700
            9   C1a C     7.0000  -18.9700
            10  C5a C    14.3500  -20.3700
            11  S2a S    15.5400  -21.0700
            12  C1b C    16.7300  -20.3700
            13  C1b C    17.9900  -21.0700
            14  N1b N    19.1800  -20.3700
            15  C5a C    20.3700  -21.0700
            16  C1b C    21.6300  -20.3700
            17  C1b C    22.8200  -21.0700
            18  N1b N    24.0100  -20.3700
            19  C5a C    25.2700  -21.0700
            20  C1c C    26.4600  -20.3700
            21  C1d C    27.6500  -21.0700
            22  C1b C    28.8400  -20.3700
            23  O2b O    30.1000  -21.0700
            24  O5a O    14.3500  -18.9700
            25  O5a O    20.3700  -22.4700
            26  O5a O    25.2700  -22.4700
            27  O1a O    26.4600  -18.9700
            28  C1a C    27.6500  -19.6700
            29  C1a C    27.6500  -22.4700
            30  P1b P    31.5000  -21.0700
            31  O1c O    32.9000  -21.0700
            32  O1c O    31.5000  -22.4700
            33  C1y C    24.9900  -16.1000
            34  C1y C    26.3900  -16.1000
            35  C1y C    26.8100  -14.7700
            36  O2x O    25.6900  -13.9300
            37  C1y C    24.5700  -14.7700
            38  C1b C    28.1400  -14.3500
            39  O1a O    24.1500  -17.2200
            40  O2b O    27.2300  -17.2200
            41  P1b P    28.6300  -17.2200
            42  O1c O    28.6300  -15.8200
            43  O1c O    30.0300  -17.2200
            44  O1c O    28.6300  -18.6200
            45  C8y C    20.4400  -12.9500
            46  C8y C    20.4400  -14.3500
            47  N4y N    22.8900  -14.3500
            48  C8x C    22.8900  -12.9500
            49  N5x N    21.6300  -12.2500
            50  C8y C    19.2500  -12.2500
            51  N5x N    17.9900  -12.9500
            52  C8x C    17.9900  -14.3500
            53  N5x N    19.2500  -15.0500
            54  N1a N    19.2500  -10.8500
            55  O2b O    30.1000  -14.7700
            56  P1b P    31.5000  -14.7700
            57  O1c O    31.5000  -13.3700
            58  O1c O    32.9000  -14.7700
            59  O2c O    31.5000  -17.9900
BOND        61
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     2   8 2
            8     6   9 1
            9     1  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   21  22 1
            22   22  23 1
            23   10  24 2
            24   15  25 2
            25   19  26 2
            26   20  27 1 #Down
            27   21  28 1
            28   21  29 1
            29   23  30 1
            30   30  31 2
            31   30  32 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   33  37 1
            37   35  38 1 #Down
            38   33  39 1 #Up
            39   34  40 1 #Up
            40   40  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 2
            44   45  46 2
            45   46  47 1
            46   47  48 1
            47   48  49 2
            48   45  49 1
            49   45  50 1
            50   50  51 2
            51   51  52 1
            52   52  53 2
            53   46  53 1
            54   50  54 1
            55   37  47 1 #Down
            56   38  55 1
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   56  59 1
            61   30  59 1

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