KEGG   COMPOUND: C02041Help
Entry
C02041                      Compound                               

Name
Eicosanoyl-CoA;
Icosanoyl-CoA;
Arachidoyl-CoA
Formula
C41H74N7O17P3S
Exact mass
1061.4075
Mol weight
1062.0492
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Fatty acid metabolism
Enzyme
1.14.19.10      3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02041  Icosanoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   C1b C    41.9300  -36.1200
            2   C5a C    43.1900  -35.4200
            3   S2a S    44.3800  -36.1200
            4   C1b C    45.5700  -35.4200
            5   C1b C    46.8300  -36.1200
            6   N1b N    48.0200  -35.4200
            7   C5a C    49.2100  -36.1200
            8   C1b C    50.4700  -35.4200
            9   C1b C    51.6600  -36.1200
            10  N1b N    52.8500  -35.4200
            11  C5a C    54.1100  -36.1200
            12  C1c C    55.3000  -35.4200
            13  C1d C    56.4900  -36.1200
            14  C1b C    57.6800  -35.4200
            15  O2b O    58.9400  -36.1200
            16  O5a O    43.1900  -34.0200
            17  O5a O    49.2100  -37.5200
            18  O5a O    54.1100  -37.5200
            19  O1a O    55.3000  -34.0200
            20  C1a C    56.4900  -34.7200
            21  C1a C    56.4900  -37.5200
            22  P1b P    60.3400  -36.1200
            23  O1c O    61.7400  -36.1200
            24  O1c O    60.3400  -37.5200
            25  C1y C    53.8300  -31.1500
            26  C1y C    55.2300  -31.1500
            27  C1y C    55.6500  -29.8200
            28  O2x O    54.5300  -28.9800
            29  C1y C    53.4100  -29.8200
            30  C1b C    56.9800  -29.4000
            31  O1a O    52.9900  -32.2700
            32  O2b O    56.0700  -32.2700
            33  P1b P    57.4700  -32.2700
            34  O1c O    57.4700  -30.8700
            35  O1c O    58.8700  -32.2700
            36  O1c O    57.4700  -33.6700
            37  C8y C    49.2800  -28.0000
            38  C8y C    49.2800  -29.4000
            39  N4y N    51.7300  -29.4000
            40  C8x C    51.7300  -28.0000
            41  N5x N    50.4700  -27.3000
            42  C8y C    48.0900  -27.3000
            43  N5x N    46.8300  -28.0000
            44  C8x C    46.8300  -29.4000
            45  N5x N    48.0900  -30.1000
            46  N1a N    48.0900  -25.9000
            47  O2b O    58.9400  -29.8200
            48  P1b P    60.3400  -29.8200
            49  O1c O    60.3400  -28.4200
            50  O1c O    61.7400  -29.8200
            51  O2c O    60.3400  -33.0400
            52  C1b C    40.8100  -35.4900
            53  C1b C    39.6900  -36.1200
            54  C1b C    38.5700  -35.4900
            55  C1b C    37.3800  -36.1200
            56  C1b C    36.2600  -35.4900
            57  C1b C    35.2100  -36.1200
            58  C1b C    33.9500  -35.4200
            59  C1b C    32.7600  -36.1200
            60  C1b C    31.5700  -35.4200
            61  C1b C    30.3800  -36.1200
            62  C1b C    29.1900  -35.4200
            63  C1b C    28.0000  -36.1200
            64  C1b C    26.8100  -35.4200
            65  C1b C    25.5500  -36.1200
            66  C1b C    24.3600  -35.4200
            67  C1b C    23.1700  -36.1200
            68  C1b C    21.9800  -35.4200
            69  C1a C    20.7900  -36.1200
BOND        71
            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 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

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