KEGG   COMPOUND: C16335Help
Entry
C16335                      Compound                               

Name
OPC4-CoA
Formula
C35H56N7O18P3S
Exact mass
987.2615
Mol weight
987.8415
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: 47205643
ChEBI: 80456
NIKKAJI: J2.802.272G
LinkDB All DBs
KCF data Show

ATOM        64
            1   C1y C    17.7800  -23.1000
            2   C1y C    17.8500  -21.7000
            3   C1x C    16.4500  -23.5200
            4   C1b C    19.0400  -24.6400
            5   C5x C    16.5200  -21.2800
            6   C1b C    18.9000  -20.3000
            7   C1x C    15.6800  -22.4000
            8   C1b C    20.1600  -23.9400
            9   O5x O    16.1000  -19.9500
            10  C2b C    19.8100  -21.0000
            11  C1b C    21.4200  -24.6400
            12  C2b C    21.0700  -21.0000
            13  C1b C    22.1900  -20.3000
            14  C1a C    23.2400  -21.0000
            15  C5a C    22.6800  -23.9400
            16  S2a S    23.8700  -24.6400
            17  C1b C    25.0600  -23.9400
            18  C1b C    26.3200  -24.6400
            19  N1b N    27.5100  -23.9400
            20  C5a C    28.7000  -24.6400
            21  C1b C    29.9600  -23.9400
            22  C1b C    31.1500  -24.6400
            23  N1b N    32.3400  -23.9400
            24  C5a C    33.6000  -24.6400
            25  C1c C    34.7900  -23.9400
            26  C1d C    35.9800  -24.6400
            27  C1b C    37.1700  -23.9400
            28  O2b O    38.4300  -24.6400
            29  O5a O    22.6800  -22.5400
            30  O5a O    28.7000  -26.0400
            31  O5a O    33.6000  -26.0400
            32  O1a O    34.7900  -22.5400
            33  C1a C    35.9800  -23.2400
            34  C1a C    35.9800  -26.0400
            35  P1b P    39.8300  -24.6400
            36  O1c O    41.2300  -24.6400
            37  O1c O    39.8300  -26.0400
            38  C1y C    33.3200  -19.6700
            39  C1y C    34.7200  -19.6700
            40  C1y C    35.1400  -18.3400
            41  O2x O    34.0200  -17.5000
            42  C1y C    32.9000  -18.3400
            43  C1b C    36.4700  -17.9200
            44  O1a O    32.4800  -20.7900
            45  O2b O    35.5600  -20.7900
            46  P1b P    36.9600  -20.7900
            47  O1c O    36.9600  -19.3900
            48  O1c O    38.3600  -20.7900
            49  O1c O    36.9600  -22.1900
            50  C8y C    28.7700  -16.5200
            51  C8y C    28.7700  -17.9200
            52  N4y N    31.2200  -17.9200
            53  C8x C    31.2200  -16.5200
            54  N5x N    29.9600  -15.8200
            55  C8y C    27.5800  -15.8200
            56  N5x N    26.3200  -16.5200
            57  C8x C    26.3200  -17.9200
            58  N5x N    27.5800  -18.6200
            59  N1a N    27.5800  -14.4200
            60  O2b O    38.4300  -18.3400
            61  P1b P    39.8300  -18.3400
            62  O1c O    39.8300  -16.9400
            63  O1c O    41.2300  -18.3400
            64  O2c O    39.8300  -21.5600
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    8  11 1
            11   10  12 2
            12   12  13 1
            13   13  14 1
            14    5   7 1
            15   11  15 1
            16   15  16 1
            17   16  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   15  29 2
            30   20  30 2
            31   24  31 2
            32   25  32 1 #Down
            33   26  33 1
            34   26  34 1
            35   28  35 1
            36   35  36 2
            37   35  37 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   38  42 1
            43   40  43 1 #Down
            44   38  44 1 #Up
            45   39  45 1 #Up
            46   45  46 1
            47   46  47 1
            48   46  48 1
            49   46  49 2
            50   50  51 2
            51   51  52 1
            52   52  53 1
            53   53  54 2
            54   50  54 1
            55   50  55 1
            56   55  56 2
            57   56  57 1
            58   57  58 2
            59   51  58 1
            60   55  59 1
            61   42  52 1 #Down
            62   43  60 1
            63   60  61 1
            64   61  62 1
            65   61  63 2
            66   61  64 1
            67   35  64 1

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