KEGG   COMPOUND: C03595
Entry
C03595                      Compound                               

Name
8,11,14-Eicosatrienoyl-CoA;
8,11,14-Icosatrienoyl-CoA;
(8Z,11Z,14Z)-Icosatrienoyl-CoA;
(8Z,11Z,14Z)-Icosa-8,11,14-trienoyl-CoA
Formula
C41H68N7O17P3S
Exact mass
1055.3605
Mol weight
1056.0016
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       1.14.19.44      3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C03595  (8Z,11Z,14Z)-Icosatrienoyl-CoA
Other DBs
PubChem: 6386
ChEBI: 27979
3DMET: B04905
NIKKAJI: J2.743.021J
LinkDB
KCF data

ATOM        69
            1   C1b C    31.1724  -25.3400
            2   C5a C    32.3849  -24.6400
            3   S2a S    33.5973  -25.3400
            4   C1b C    34.8097  -24.6400
            5   C1b C    36.0222  -25.3400
            6   N1b N    37.2346  -24.6400
            7   C5a C    38.4470  -25.3400
            8   C1b C    39.6595  -24.6400
            9   C1b C    40.8719  -25.3400
            10  N1b N    42.0844  -24.6400
            11  C5a C    43.2968  -25.3400
            12  C1c C    44.5092  -24.6400
            13  C1d C    45.7217  -25.3400
            14  C1b C    46.9341  -24.6400
            15  O2b O    48.1465  -25.3400
            16  O5a O    32.3849  -23.2402
            17  O5a O    38.4470  -26.7399
            18  O5a O    43.2968  -26.7396
            19  O1a O    44.5092  -23.2400
            20  C1a C    45.7217  -23.9400
            21  C1a C    45.7217  -26.7400
            22  P1b P    49.5465  -25.3400
            23  O1c O    50.9465  -25.3400
            24  O1c O    49.5465  -26.7400
            25  C1y C    43.0500  -20.3700
            26  C1y C    44.4500  -20.3700
            27  C1y C    44.8826  -19.0385
            28  O2x O    43.7500  -18.2156
            29  C1y C    42.6174  -19.0385
            30  C1b C    46.2022  -18.6097
            31  O1a O    42.2271  -21.5026
            32  O2b O    45.2729  -21.5026
            33  P1b P    46.6729  -21.5026
            34  O1c O    46.6729  -20.1026
            35  O1c O    48.0729  -21.5026
            36  O1c O    46.6729  -22.9026
            37  C8y C    38.5000  -17.2200
            38  C8y C    38.5000  -18.6200
            39  N4y N    40.9249  -18.6200
            40  C8x C    40.9249  -17.2200
            41  N5x N    39.7124  -16.5200
            42  C8y C    37.2876  -16.5200
            43  N5x N    36.0751  -17.2200
            44  C8x C    36.0751  -18.6200
            45  N5x N    37.2876  -19.3200
            46  N1a N    37.2876  -15.1202
            47  O2b O    48.1845  -19.0420
            48  P1b P    49.5845  -19.0420
            49  O1c O    49.5845  -17.6420
            50  O1c O    50.9845  -19.0420
            51  O2c O    49.5845  -22.2620
            52  C1b C    29.9376  -24.6400
            53  C1b C    28.7251  -25.3400
            54  C1b C    27.5127  -24.6400
            55  C1b C    26.3003  -25.3400
            56  C1b C    25.1027  -24.6485
            57  C2b C    23.9144  -25.3345
            58  C2b C    22.5144  -25.3345
            59  C1b C    21.3276  -24.6400
            60  C2b C    20.1151  -25.3400
            61  C2b C    18.7151  -25.3400
            62  C1b C    17.4776  -24.6400
            63  C2b C    16.2651  -25.3400
            64  C2b C    14.8651  -25.3400
            65  C1b C    13.6276  -24.6400
            66  C1b C    12.4151  -25.3400
            67  C1b C    11.2027  -24.6400
            68  C1b C     9.9903  -25.3400
            69  C1a C     8.7778  -24.6400
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 2
            61   58  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

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