KEGG   COMPOUND: C16468
Entry
C16468                      Compound                               

Name
(2E)-5-Methylhexa-2,4-dienoyl-CoA
Formula
C28H44N7O17P3S
Exact mass
875.1727
Mol weight
875.6719
Structure
Reaction
Pathway
map00281  Geraniol degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.-        4.2.1.17
Other DBs
PubChem: 47205764
ChEBI: 80511
NIKKAJI: J2.802.633A
KCF data

ATOM        56
            1   C2b C    11.8300  -21.0700
            2   C2b C    10.6400  -20.3700
            3   C2b C     9.3800  -21.0700
            4   C2c C     8.1900  -20.3700
            5   C1a C     7.0000  -21.0700
            6   C1a C     8.1900  -18.9700
            7   C5a C    13.0900  -20.3700
            8   S2a S    14.2800  -21.0700
            9   C1b C    15.4700  -20.3700
            10  C1b C    16.7300  -21.0700
            11  N1b N    17.9200  -20.3700
            12  C5a C    19.1100  -21.0700
            13  C1b C    20.3700  -20.3700
            14  C1b C    21.5600  -21.0700
            15  N1b N    22.7500  -20.3700
            16  C5a C    24.0100  -21.0700
            17  C1c C    25.2000  -20.3700
            18  C1d C    26.3900  -21.0700
            19  C1b C    27.5800  -20.3700
            20  O2b O    28.8400  -21.0700
            21  O5a O    13.0900  -18.9700
            22  O5a O    19.1100  -22.4700
            23  O5a O    24.0100  -22.4700
            24  O1a O    25.2000  -18.9700
            25  C1a C    26.3900  -19.6700
            26  C1a C    26.3900  -22.4700
            27  P1b P    30.2400  -21.0700
            28  O1c O    31.6400  -21.0700
            29  O1c O    30.2400  -22.4700
            30  C1y C    23.7300  -16.1000
            31  C1y C    25.1300  -16.1000
            32  C1y C    25.5500  -14.7700
            33  O2x O    24.4300  -13.9300
            34  C1y C    23.3100  -14.7700
            35  C1b C    26.8800  -14.3500
            36  O1a O    22.8900  -17.2200
            37  O2b O    25.9700  -17.2200
            38  P1b P    27.3700  -17.2200
            39  O1c O    27.3700  -15.8200
            40  O1c O    28.7700  -17.2200
            41  O1c O    27.3700  -18.6200
            42  C8y C    19.1800  -12.9500
            43  C8y C    19.1800  -14.3500
            44  N4y N    21.6300  -14.3500
            45  C8x C    21.6300  -12.9500
            46  N5x N    20.3700  -12.2500
            47  C8y C    17.9900  -12.2500
            48  N5x N    16.7300  -12.9500
            49  C8x C    16.7300  -14.3500
            50  N5x N    17.9900  -15.0500
            51  N1a N    17.9900  -10.8500
            52  O2b O    28.8400  -14.7700
            53  P1b P    30.2400  -14.7700
            54  O1c O    30.2400  -13.3700
            55  O1c O    31.6400  -14.7700
            56  O2c O    30.2400  -17.9900
BOND        58
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     4   6 1
            6     1   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   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    7  21 2
            21   12  22 2
            22   16  23 2
            23   17  24 1 #Down
            24   18  25 1
            25   18  26 1
            26   20  27 1
            27   27  28 2
            28   27  29 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   30  34 1
            34   32  35 1 #Down
            35   30  36 1 #Up
            36   31  37 1 #Up
            37   37  38 1
            38   38  39 1
            39   38  40 1
            40   38  41 2
            41   42  43 2
            42   43  44 1
            43   44  45 1
            44   45  46 2
            45   42  46 1
            46   42  47 1
            47   47  48 2
            48   48  49 1
            49   49  50 2
            50   43  50 1
            51   47  51 1
            52   34  44 1 #Down
            53   35  52 1
            54   52  53 1
            55   53  54 1
            56   53  55 2
            57   53  56 1
            58   27  56 1

» Japanese version

DBGET integrated database retrieval system