KEGG   COMPOUND: C16332Help
Entry
C16332                      Compound                               

Name
trans-2-Enoyl-OPC6-CoA
Formula
C37H58N7O18P3S
Exact mass
1013.2772
Mol weight
1013.8788
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00113  Jasmonic acid biosynthesis
Enzyme
1.3.3.6         4.2.1.17        4.2.1.74
Other DBs
PubChem: 47205640
ChEBI: 80453
LIPIDMAPS: LMFA07050381
NIKKAJI: J2.801.821E
KCF data Show

ATOM        66
            1   C2b C    22.8200  -24.5700
            2   C1y C    16.7300  -23.1700
            3   C1y C    16.8000  -21.7700
            4   C1x C    15.4000  -23.5900
            5   C1b C    18.0600  -24.6400
            6   C5x C    15.4700  -21.3500
            7   C1b C    17.8500  -20.3000
            8   C1x C    14.6300  -22.4700
            9   C1b C    19.1800  -23.8700
            10  O5x O    15.0500  -20.0200
            11  C2b C    19.0400  -20.8600
            12  C1b C    20.3700  -24.5700
            13  C2b C    20.4400  -20.8600
            14  C2b C    21.6300  -23.8700
            15  C1b C    21.7000  -20.1600
            16  C1a C    22.8900  -20.8600
            17  C5a C    24.0800  -23.8700
            18  S2a S    25.2700  -24.5700
            19  C1b C    26.4600  -23.8700
            20  C1b C    27.7200  -24.5700
            21  N1b N    28.9100  -23.8700
            22  C5a C    30.1000  -24.5700
            23  C1b C    31.3600  -23.8700
            24  C1b C    32.5500  -24.5700
            25  N1b N    33.7400  -23.8700
            26  C5a C    35.0000  -24.5700
            27  C1c C    36.1900  -23.8700
            28  C1d C    37.3800  -24.5700
            29  C1b C    38.5700  -23.8700
            30  O2b O    39.8300  -24.5700
            31  O5a O    24.0800  -22.4700
            32  O5a O    30.1000  -25.9700
            33  O5a O    35.0000  -25.9700
            34  O1a O    36.1900  -22.4700
            35  C1a C    37.3800  -23.1700
            36  C1a C    37.3800  -25.9700
            37  P1b P    41.2300  -24.5700
            38  O1c O    42.6300  -24.5700
            39  O1c O    41.2300  -25.9700
            40  C1y C    34.7200  -19.6000
            41  C1y C    36.1200  -19.6000
            42  C1y C    36.5400  -18.2700
            43  O2x O    35.4200  -17.4300
            44  C1y C    34.3000  -18.2700
            45  C1b C    37.8700  -17.8500
            46  O1a O    33.8800  -20.7200
            47  O2b O    36.9600  -20.7200
            48  P1b P    38.3600  -20.7200
            49  O1c O    38.3600  -19.3200
            50  O1c O    39.7600  -20.7200
            51  O1c O    38.3600  -22.1200
            52  C8y C    30.1700  -16.4500
            53  C8y C    30.1700  -17.8500
            54  N4y N    32.6200  -17.8500
            55  C8x C    32.6200  -16.4500
            56  N5x N    31.3600  -15.7500
            57  C8y C    28.9800  -15.7500
            58  N5x N    27.7200  -16.4500
            59  C8x C    27.7200  -17.8500
            60  N5x N    28.9800  -18.5500
            61  N1a N    28.9800  -14.3500
            62  O2b O    39.8300  -18.2700
            63  P1b P    41.2300  -18.2700
            64  O1c O    41.2300  -16.8700
            65  O1c O    42.6300  -18.2700
            66  O2c O    41.2300  -21.4900
BOND        69
            1     2   3 1
            2     2   4 1
            3     2   5 1 #Up
            4     3   6 1
            5     3   7 1 #Up
            6     4   8 1
            7     5   9 1
            8     6  10 2
            9     7  11 1
            10    9  12 1
            11   11  13 2
            12   12  14 1
            13   13  15 1
            14   14   1 2
            15   15  16 1
            16    6   8 1
            17    1  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   17  31 2
            32   22  32 2
            33   26  33 2
            34   27  34 1 #Down
            35   28  35 1
            36   28  36 1
            37   30  37 1
            38   37  38 2
            39   37  39 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   40  44 1
            45   42  45 1 #Down
            46   40  46 1 #Up
            47   41  47 1 #Up
            48   47  48 1
            49   48  49 1
            50   48  50 1
            51   48  51 2
            52   52  53 2
            53   53  54 1
            54   54  55 1
            55   55  56 2
            56   52  56 1
            57   52  57 1
            58   57  58 2
            59   58  59 1
            60   59  60 2
            61   53  60 1
            62   57  61 1
            63   44  54 1 #Down
            64   45  62 1
            65   62  63 1
            66   63  64 1
            67   63  65 2
            68   63  66 1
            69   37  66 1

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