KEGG   COMPOUND: C02050
Entry
C02050                      Compound                               

Name
Linoleoyl-CoA;
(9Z,12Z)-Octadecadienoyl-CoA
Formula
C39H66N7O17P3S
Exact mass
1029.3449
Mol weight
1029.9643
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Enzyme
1.14.14.129     1.14.19.3       1.14.19.6       1.14.19.-       
3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02050  (9Z,12Z)-Octadecadienoyl-CoA
Other DBs
PubChem: 5139
ChEBI: 15530
LIPIDMAPS: LMFA07050060 LMFA07050343
3DMET: B04835
NIKKAJI: J2.735.439D
LinkDB
KCF data

ATOM        67
            1   C1b C    40.1800  -34.4400
            2   C5a C    41.4400  -33.7400
            3   S2a S    42.6300  -34.4400
            4   C1b C    43.8200  -33.7400
            5   C1b C    45.0800  -34.4400
            6   N1b N    46.2700  -33.7400
            7   C5a C    47.4600  -34.4400
            8   C1b C    48.7200  -33.7400
            9   C1b C    49.9100  -34.4400
            10  N1b N    51.1000  -33.7400
            11  C5a C    52.3600  -34.4400
            12  C1c C    53.5500  -33.7400
            13  C1d C    54.7400  -34.4400
            14  C1b C    55.9300  -33.7400
            15  O2b O    57.1900  -34.4400
            16  O5a O    41.4400  -32.3400
            17  O5a O    47.4600  -35.8400
            18  O5a O    52.3600  -35.8400
            19  O1a O    53.5500  -32.3400
            20  C1a C    54.7400  -33.0400
            21  C1a C    54.7400  -35.8400
            22  P1b P    58.5900  -34.4400
            23  O1c O    59.9900  -34.4400
            24  O1c O    58.5900  -35.8400
            25  C1y C    52.0800  -29.4700
            26  C1y C    53.4800  -29.4700
            27  C1y C    53.9000  -28.1400
            28  O2x O    52.7800  -27.3000
            29  C1y C    51.6600  -28.1400
            30  C1b C    55.2300  -27.7200
            31  O1a O    51.2400  -30.5900
            32  O2b O    54.3200  -30.5900
            33  P1b P    55.7200  -30.5900
            34  O1c O    55.7200  -29.1900
            35  O1c O    57.1200  -30.5900
            36  O1c O    55.7200  -31.9900
            37  C8y C    47.5300  -26.3200
            38  C8y C    47.5300  -27.7200
            39  N4y N    49.9800  -27.7200
            40  C8x C    49.9800  -26.3200
            41  N5x N    48.7200  -25.6200
            42  C8y C    46.3400  -25.6200
            43  N5x N    45.0800  -26.3200
            44  C8x C    45.0800  -27.7200
            45  N5x N    46.3400  -28.4200
            46  N1a N    46.3400  -24.2200
            47  O2b O    57.1900  -28.1400
            48  P1b P    58.5900  -28.1400
            49  O1c O    58.5900  -26.7400
            50  O1c O    59.9900  -28.1400
            51  O2c O    58.5900  -31.3600
            52  C1b C    38.9900  -33.7400
            53  C1b C    37.8000  -34.4400
            54  C1b C    36.5400  -33.7400
            55  C1b C    35.3500  -34.4400
            56  C1b C    34.1600  -33.7400
            57  C1b C    32.9700  -34.4400
            58  C2b C    31.7800  -33.8100
            59  C2b C    30.3800  -33.8100
            60  C1b C    29.1900  -34.4400
            61  C2b C    28.0000  -33.8100
            62  C2b C    26.6000  -33.8100
            63  C1b C    25.4100  -34.4400
            64  C1b C    24.2200  -33.8100
            65  C1b C    23.1000  -34.4400
            66  C1b C    21.9100  -33.8100
            67  C1a C    20.7200  -34.4400
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 1
            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

» Japanese version

KEGG   COMPOUND: C16160
Entry
C16160                      Compound                               

Name
Linoleoyl-[acyl-carrier protein];
Linoleoyl-ACP;
(9Z,12Z)-Octadecadienoyl-[acyl-carrier protein];
(9Z,12Z)-Octadecadienoyl-ACP
Formula
C18H31OSR
Structure
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C16160  (9Z,12Z)-Octadecadienoyl-[acp]
Other DBs
PubChem: 47205470
ChEBI: 80357
LinkDB
KCF data

ATOM        21
            1   C1b C    48.3000  -30.5900
            2   C1b C    47.0400  -29.8900
            3   C1b C    49.4900  -29.8900
            4   C1b C    45.8500  -30.5900
            5   C1b C    50.7500  -30.5900
            6   C2b C    44.6600  -29.8900
            7   C1b C    51.9400  -29.8900
            8   C2b C    43.2600  -29.8900
            9   C1b C    53.1300  -30.5900
            10  C1b C    42.0700  -30.5900
            11  C5a C    54.3200  -29.8900
            12  C2b C    40.8100  -29.8900
            13  S2a S    55.5800  -30.5900
            14  O5a O    54.3200  -28.4900
            15  R   R    56.9800  -30.5900
            16  C2b C    39.4100  -29.8900
            17  C1b C    38.1500  -30.5900
            18  C1b C    36.9600  -29.8900
            19  C1b C    35.7700  -30.5900
            20  C1b C    34.5800  -29.8900
            21  C1a C    33.3900  -30.5900
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   13  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

» Japanese version

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