KEGG   COMPOUND: C16331Help
Entry
C16331                      Compound                               

Name
OPC6-CoA
Formula
C37H60N7O18P3S
Exact mass
1015.2928
Mol weight
1015.8947
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         2.3.1.16
Other DBs
PubChem: 47205639
ChEBI: 139105
NIKKAJI: J2.801.820G
KCF data Show

ATOM        66
            1   C1b C    22.7500  -24.5000
            2   C1y C    16.5200  -22.9600
            3   C1y C    16.5900  -21.5600
            4   C1x C    15.1900  -23.3800
            5   C1b C    17.9200  -24.5000
            6   C5x C    15.2600  -21.1400
            7   C1b C    17.7800  -20.0200
            8   C1x C    14.4200  -22.2600
            9   C1b C    19.1100  -23.8000
            10  O5x O    14.8400  -19.8100
            11  C2b C    18.9700  -20.7200
            12  C1b C    20.3000  -24.5000
            13  C2b C    20.3700  -20.7200
            14  C1b C    21.5600  -23.8000
            15  C1b C    21.4200  -20.0200
            16  C1a C    22.6100  -20.7200
            17  C5a C    24.0100  -23.8000
            18  S2a S    25.2000  -24.5000
            19  C1b C    26.3900  -23.8000
            20  C1b C    27.6500  -24.5000
            21  N1b N    28.8400  -23.8000
            22  C5a C    30.0300  -24.5000
            23  C1b C    31.2900  -23.8000
            24  C1b C    32.4800  -24.5000
            25  N1b N    33.6700  -23.8000
            26  C5a C    34.9300  -24.5000
            27  C1c C    36.1200  -23.8000
            28  C1d C    37.3100  -24.5000
            29  C1b C    38.5000  -23.8000
            30  O2b O    39.7600  -24.5000
            31  O5a O    24.0100  -22.4000
            32  O5a O    30.0300  -25.9000
            33  O5a O    34.9300  -25.9000
            34  O1a O    36.1200  -22.4000
            35  C1a C    37.3100  -23.1000
            36  C1a C    37.3100  -25.9000
            37  P1b P    41.1600  -24.5000
            38  O1c O    42.5600  -24.5000
            39  O1c O    41.1600  -25.9000
            40  C1y C    34.6500  -19.5300
            41  C1y C    36.0500  -19.5300
            42  C1y C    36.4700  -18.2000
            43  O2x O    35.3500  -17.3600
            44  C1y C    34.2300  -18.2000
            45  C1b C    37.8000  -17.7800
            46  O1a O    33.8100  -20.6500
            47  O2b O    36.8900  -20.6500
            48  P1b P    38.2900  -20.6500
            49  O1c O    38.2900  -19.2500
            50  O1c O    39.6900  -20.6500
            51  O1c O    38.2900  -22.0500
            52  C8y C    30.1000  -16.3800
            53  C8y C    30.1000  -17.7800
            54  N4y N    32.5500  -17.7800
            55  C8x C    32.5500  -16.3800
            56  N5x N    31.2900  -15.6800
            57  C8y C    28.9100  -15.6800
            58  N5x N    27.6500  -16.3800
            59  C8x C    27.6500  -17.7800
            60  N5x N    28.9100  -18.4800
            61  N1a N    28.9100  -14.2800
            62  O2b O    39.7600  -18.2000
            63  P1b P    41.1600  -18.2000
            64  O1c O    41.1600  -16.8000
            65  O1c O    42.5600  -18.2000
            66  O2c O    41.1600  -21.4200
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 1
            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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