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
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.10      2.3.1.111       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: 5132
ChEBI: 15527
3DMET: B04833
NIKKAJI: J2.735.367C
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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