KEGG   COMPOUND: C16327Help
Entry
C16327                      Compound                               

Name
OPC8-CoA
Formula
C39H64N7O18P3S
Exact mass
1043.3241
Mol weight
1043.9478
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         6.2.1.-
Other DBs
PubChem: 47205635
ChEBI: 80448
NIKKAJI: J2.801.815K
KCF data Show

ATOM        68
            1   C1y C    14.2800  -23.3100
            2   C1y C    14.3500  -21.9100
            3   C1x C    12.9500  -23.7300
            4   C1b C    15.5400  -24.0800
            5   C5x C    13.0200  -21.4900
            6   C1b C    15.6800  -20.9300
            7   C1x C    12.1800  -22.6100
            8   C1b C    16.7300  -23.3800
            9   O5x O    12.6000  -20.1600
            10  C2b C    16.8700  -21.6300
            11  C1b C    17.9200  -24.0800
            12  C2b C    18.2700  -21.6300
            13  C1b C    19.1800  -23.3800
            14  C1b C    19.5300  -20.9300
            15  C1b C    20.3700  -24.0800
            16  C1a C    20.7200  -21.6300
            17  C1b C    21.5600  -23.3800
            18  C1b C    22.7500  -24.1500
            19  C5a C    24.0100  -23.4500
            20  S2a S    25.2000  -24.1500
            21  C1b C    26.3900  -23.4500
            22  C1b C    27.6500  -24.1500
            23  N1b N    28.8400  -23.4500
            24  C5a C    30.0300  -24.1500
            25  C1b C    31.2900  -23.4500
            26  C1b C    32.4800  -24.1500
            27  N1b N    33.6700  -23.4500
            28  C5a C    34.9300  -24.1500
            29  C1c C    36.1200  -23.4500
            30  C1d C    37.3100  -24.1500
            31  C1b C    38.5000  -23.4500
            32  O2b O    39.7600  -24.1500
            33  O5a O    24.0100  -22.0500
            34  O5a O    30.0300  -25.5500
            35  O5a O    34.9300  -25.5500
            36  O1a O    36.1200  -22.0500
            37  C1a C    37.3100  -22.7500
            38  C1a C    37.3100  -25.5500
            39  P1b P    41.1600  -24.1500
            40  O1c O    42.5600  -24.1500
            41  O1c O    41.1600  -25.5500
            42  C1y C    34.6500  -19.1800
            43  C1y C    36.0500  -19.1800
            44  C1y C    36.4700  -17.8500
            45  O2x O    35.3500  -17.0100
            46  C1y C    34.2300  -17.8500
            47  C1b C    37.8000  -17.4300
            48  O1a O    33.8100  -20.3000
            49  O2b O    36.8900  -20.3000
            50  P1b P    38.2900  -20.3000
            51  O1c O    38.2900  -18.9000
            52  O1c O    39.6900  -20.3000
            53  O1c O    38.2900  -21.7000
            54  C8y C    30.1000  -16.0300
            55  C8y C    30.1000  -17.4300
            56  N4y N    32.5500  -17.4300
            57  C8x C    32.5500  -16.0300
            58  N5x N    31.2900  -15.3300
            59  C8y C    28.9100  -15.3300
            60  N5x N    27.6500  -16.0300
            61  C8x C    27.6500  -17.4300
            62  N5x N    28.9100  -18.1300
            63  N1a N    28.9100  -13.9300
            64  O2b O    39.7600  -17.8500
            65  P1b P    41.1600  -17.8500
            66  O1c O    41.1600  -16.4500
            67  O1c O    42.5600  -17.8500
            68  O2c O    41.1600  -21.0700
BOND        71
            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   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   17  18 1
            18    5   7 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   30  31 1
            32   31  32 1
            33   19  33 2
            34   24  34 2
            35   28  35 2
            36   29  36 1 #Down
            37   30  37 1
            38   30  38 1
            39   32  39 1
            40   39  40 2
            41   39  41 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   42  46 1
            47   44  47 1 #Down
            48   42  48 1 #Up
            49   43  49 1 #Up
            50   49  50 1
            51   50  51 1
            52   50  52 1
            53   50  53 2
            54   54  55 2
            55   55  56 1
            56   56  57 1
            57   57  58 2
            58   54  58 1
            59   54  59 1
            60   59  60 2
            61   60  61 1
            62   61  62 2
            63   55  62 1
            64   59  63 1
            65   46  56 1 #Down
            66   47  64 1
            67   64  65 1
            68   65  66 1
            69   65  67 2
            70   65  68 1
            71   39  68 1

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