KEGG   COMPOUND: C16179Help
Entry
C16179                      Compound                               

Name
(11Z,14Z,17Z)-Icosatrienoyl-CoA;
(11Z,14Z,17Z)-Icosa-11,14,17-trienoyl-CoA
Formula
C41H68N7O17P3S
Exact mass
1055.3605
Mol weight
1056.0016
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       1.14.19.37      3.1.2.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16179  (11Z,14Z,17Z)-Icosatrienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205488
ChEBI: 74606
NIKKAJI: J2.798.563G
KCF data Show

ATOM        69
            1   C1b C    30.3100  -31.2900
            2   C1b C    29.0500  -31.9900
            3   C1b C    27.8600  -31.2900
            4   C1b C    26.6700  -31.9900
            5   C1b C    25.4100  -31.2900
            6   C1b C    24.1500  -31.9900
            7   C1b C    23.0300  -31.2900
            8   C1b C    21.8400  -31.9900
            9   C2b C    20.5800  -31.2900
            10  C2b C    19.1800  -31.2900
            11  C1b C    17.9900  -31.9900
            12  C2b C    16.8000  -31.2900
            13  C2b C    15.4000  -31.2900
            14  C1b C    14.1400  -31.9900
            15  C2b C    12.9500  -31.2900
            16  C2b C    11.6200  -31.2900
            17  C1b C    10.3600  -31.9900
            18  C1a C     9.1700  -31.2900
            19  C1b C    31.5000  -31.9900
            20  C5a C    32.7600  -31.2900
            21  S2a S    33.9500  -31.9900
            22  C1b C    35.1400  -31.2900
            23  C1b C    36.4000  -31.9900
            24  N1b N    37.5900  -31.2900
            25  C5a C    38.7800  -31.9900
            26  C1b C    40.0400  -31.2900
            27  C1b C    41.2300  -31.9900
            28  N1b N    42.4200  -31.2900
            29  C5a C    43.6800  -31.9900
            30  C1c C    44.8700  -31.2900
            31  C1d C    46.0600  -31.9900
            32  C1b C    47.2500  -31.2900
            33  O2b O    48.5100  -31.9900
            34  O5a O    32.7600  -29.8900
            35  O5a O    38.7800  -33.3900
            36  O5a O    43.6800  -33.3900
            37  O1a O    44.8700  -29.8900
            38  C1a C    46.0600  -30.5900
            39  C1a C    46.0600  -33.3900
            40  P1b P    49.9100  -31.9900
            41  O1c O    51.3100  -31.9900
            42  O1c O    49.9100  -33.3900
            43  C1y C    43.4000  -27.0200
            44  C1y C    44.8000  -27.0200
            45  C1y C    45.2200  -25.6900
            46  O2x O    44.1000  -24.8500
            47  C1y C    42.9800  -25.6900
            48  C1b C    46.5500  -25.2700
            49  O1a O    42.5600  -28.1400
            50  O2b O    45.6400  -28.1400
            51  P1b P    47.0400  -28.1400
            52  O1c O    47.0400  -26.7400
            53  O1c O    48.4400  -28.1400
            54  O1c O    47.0400  -29.5400
            55  C8y C    38.8500  -23.8700
            56  C8y C    38.8500  -25.2700
            57  N4y N    41.3000  -25.2700
            58  C8x C    41.3000  -23.8700
            59  N5x N    40.0400  -23.1700
            60  C8y C    37.6600  -23.1700
            61  N5x N    36.4000  -23.8700
            62  C8x C    36.4000  -25.2700
            63  N5x N    37.6600  -25.9700
            64  N1a N    37.6600  -21.7700
            65  O2b O    48.5100  -25.6900
            66  P1b P    49.9100  -25.6900
            67  O1c O    49.9100  -24.2900
            68  O1c O    51.3100  -25.6900
            69  O2c O    49.9100  -28.9100
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 2
            10   10  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18    1  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   20  34 2
            34   25  35 2
            35   29  36 2
            36   30  37 1 #Down
            37   31  38 1
            38   31  39 1
            39   33  40 1
            40   40  41 2
            41   40  42 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   43  47 1
            47   45  48 1 #Down
            48   43  49 1 #Up
            49   44  50 1 #Up
            50   50  51 1
            51   51  52 1
            52   51  53 1
            53   51  54 2
            54   55  56 2
            55   56  57 1
            56   57  58 1
            57   58  59 2
            58   55  59 1
            59   55  60 1
            60   60  61 2
            61   61  62 1
            62   62  63 2
            63   56  63 1
            64   60  64 1
            65   47  57 1 #Down
            66   48  65 1
            67   65  66 1
            68   66  67 1
            69   66  68 2
            70   66  69 1
            71   40  69 1

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