KEGG   COMPOUND: C03035
Entry
C03035                      Compound                               
Name
gamma-Linolenoyl-CoA;
(6Z,9Z,12Z)-Octadecatrienoyl-CoA
Formula
C39H64N7O17P3S
Exact mass
1027.3292
Mol weight
1027.9484
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C03035  (6Z,9Z,12Z)-Octadecatrienoyl-CoA
Other DBs
PubChem: 5940
ChEBI: 15508
LIPIDMAPS: LMFA07050322
3DMET: B04875
NIKKAJI: J2.740.376J
KCF data

ATOM        67
            1   C1b C    41.7200  -34.2300
            2   C5a C    42.9800  -33.5300
            3   S2a S    44.1700  -34.2300
            4   C1b C    45.3600  -33.5300
            5   C1b C    46.6200  -34.2300
            6   N1b N    47.8100  -33.5300
            7   C5a C    49.0000  -34.2300
            8   C1b C    50.2600  -33.5300
            9   C1b C    51.4500  -34.2300
            10  N1b N    52.6400  -33.5300
            11  C5a C    53.9000  -34.2300
            12  C1c C    55.0900  -33.5300
            13  C1d C    56.2800  -34.2300
            14  C1b C    57.4700  -33.5300
            15  O2b O    58.7300  -34.2300
            16  O5a O    42.9800  -32.1300
            17  O5a O    49.0000  -35.6300
            18  O5a O    53.9000  -35.6300
            19  O1a O    55.0900  -32.1300
            20  C1a C    56.2800  -32.8300
            21  C1a C    56.2800  -35.6300
            22  P1b P    60.1300  -34.2300
            23  O1c O    61.5300  -34.2300
            24  O1c O    60.1300  -35.6300
            25  C1y C    53.6200  -29.2600
            26  C1y C    55.0200  -29.2600
            27  C1y C    55.4400  -27.9300
            28  O2x O    54.3200  -27.0900
            29  C1y C    53.2000  -27.9300
            30  C1b C    56.7700  -27.5100
            31  O1a O    52.7800  -30.3800
            32  O2b O    55.8600  -30.3800
            33  P1b P    57.2600  -30.3800
            34  O1c O    57.2600  -28.9800
            35  O1c O    58.6600  -30.3800
            36  O1c O    57.2600  -31.7800
            37  C8y C    49.0700  -26.1100
            38  C8y C    49.0700  -27.5100
            39  N4y N    51.5200  -27.5100
            40  C8x C    51.5200  -26.1100
            41  N5x N    50.2600  -25.4100
            42  C8y C    47.8800  -25.4100
            43  N5x N    46.6200  -26.1100
            44  C8x C    46.6200  -27.5100
            45  N5x N    47.8800  -28.2100
            46  N1a N    47.8800  -24.0100
            47  O2b O    58.7300  -27.9300
            48  P1b P    60.1300  -27.9300
            49  O1c O    60.1300  -26.5300
            50  O1c O    61.5300  -27.9300
            51  O2c O    60.1300  -31.1500
            52  C1b C    40.5300  -33.5300
            53  C1b C    39.3400  -34.2300
            54  C1b C    38.1500  -33.5300
            55  C2b C    36.9600  -34.2300
            56  C2b C    35.5600  -34.2300
            57  C1b C    34.3000  -33.5300
            58  C2b C    33.1100  -34.2300
            59  C2b C    31.7100  -34.2300
            60  C1b C    30.4500  -33.5300
            61  C2b C    29.2600  -34.3000
            62  C2b C    27.8600  -34.3000
            63  C1b C    26.6000  -33.6000
            64  C1b C    25.4100  -34.2300
            65  C1b C    24.2200  -33.5300
            66  C1b C    23.0300  -34.2300
            67  C1a C    21.8400  -33.5300
BOND        69
            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 2
            59   56  57 1
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1

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