KEGG   COMPOUND: C02050Help
Entry
C02050                      Compound                               

Name
Linoleoyl-CoA;
(9Z,12Z)-Octadecadienoyl-CoA
Formula
C39H66N7O17P3S
Exact mass
1029.3449
Mol weight
1029.9643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Fatty acid metabolism
Enzyme
1.14.13.204     1.14.19.3       1.14.19.6       3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02050  (6Z,9Z)-Octadecadienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        67
            1   C1b C    40.1800  -34.4400
            2   C5a C    41.4400  -33.7400
            3   S2a S    42.6300  -34.4400
            4   C1b C    43.8200  -33.7400
            5   C1b C    45.0800  -34.4400
            6   N1b N    46.2700  -33.7400
            7   C5a C    47.4600  -34.4400
            8   C1b C    48.7200  -33.7400
            9   C1b C    49.9100  -34.4400
            10  N1b N    51.1000  -33.7400
            11  C5a C    52.3600  -34.4400
            12  C1c C    53.5500  -33.7400
            13  C1d C    54.7400  -34.4400
            14  C1b C    55.9300  -33.7400
            15  O2b O    57.1900  -34.4400
            16  O5a O    41.4400  -32.3400
            17  O5a O    47.4600  -35.8400
            18  O5a O    52.3600  -35.8400
            19  O1a O    53.5500  -32.3400
            20  C1a C    54.7400  -33.0400
            21  C1a C    54.7400  -35.8400
            22  P1b P    58.5900  -34.4400
            23  O1c O    59.9900  -34.4400
            24  O1c O    58.5900  -35.8400
            25  C1y C    52.0800  -29.4700
            26  C1y C    53.4800  -29.4700
            27  C1y C    53.9000  -28.1400
            28  O2x O    52.7800  -27.3000
            29  C1y C    51.6600  -28.1400
            30  C1b C    55.2300  -27.7200
            31  O1a O    51.2400  -30.5900
            32  O2b O    54.3200  -30.5900
            33  P1b P    55.7200  -30.5900
            34  O1c O    55.7200  -29.1900
            35  O1c O    57.1200  -30.5900
            36  O1c O    55.7200  -31.9900
            37  C8y C    47.5300  -26.3200
            38  C8y C    47.5300  -27.7200
            39  N4y N    49.9800  -27.7200
            40  C8x C    49.9800  -26.3200
            41  N5x N    48.7200  -25.6200
            42  C8y C    46.3400  -25.6200
            43  N5x N    45.0800  -26.3200
            44  C8x C    45.0800  -27.7200
            45  N5x N    46.3400  -28.4200
            46  N1a N    46.3400  -24.2200
            47  O2b O    57.1900  -28.1400
            48  P1b P    58.5900  -28.1400
            49  O1c O    58.5900  -26.7400
            50  O1c O    59.9900  -28.1400
            51  O2c O    58.5900  -31.3600
            52  C1b C    38.9900  -33.7400
            53  C1b C    37.8000  -34.4400
            54  C1b C    36.5400  -33.7400
            55  C1b C    35.3500  -34.4400
            56  C1b C    34.1600  -33.7400
            57  C1b C    32.9700  -34.4400
            58  C2b C    31.7800  -33.8100
            59  C2b C    30.3800  -33.8100
            60  C1b C    29.1900  -34.4400
            61  C2b C    28.0000  -33.8100
            62  C2b C    26.6000  -33.8100
            63  C1b C    25.4100  -34.4400
            64  C1b C    24.2200  -33.8100
            65  C1b C    23.1000  -34.4400
            66  C1b C    21.9100  -33.8100
            67  C1a C    20.7200  -34.4400
BOND        69
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   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    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1

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