KEGG   COMPOUND: C03595Help
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
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
PubChem: 6386
ChEBI: 27979
3DMET: B04905
NIKKAJI: J2.743.021J
LinkDB All DBs
KCF data Show

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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