KEGG   COMPOUND: C21939Help
Entry
C21939                      Compound                               

Name
(5Z,8Z,11Z)-Icosatrienoyl-CoA;
(5Z,8Z,11Z)-Eicosatrienoyl-CoA;
5Z,8Z,11Z-Eicosatrienoyl-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
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21939  (5Z,8Z,11Z)-Icosatrienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218972
LinkDB All DBs
KCF data Show

ATOM        69
            1   C1b C    27.0200  -21.0700
            2   C5a C    28.2800  -20.3700
            3   S2a S    29.4700  -21.0700
            4   C1b C    30.6600  -20.3700
            5   C1b C    31.9200  -21.0700
            6   N1b N    33.1100  -20.3700
            7   C5a C    34.3000  -21.0700
            8   C1b C    35.5600  -20.3700
            9   C1b C    36.7500  -21.0700
            10  N1b N    37.9400  -20.3700
            11  C5a C    39.2000  -21.0700
            12  C1c C    40.3900  -20.3700
            13  C1d C    41.5800  -21.0700
            14  C1b C    42.7700  -20.3700
            15  O2b O    44.0300  -21.0700
            16  O5a O    28.2800  -18.9700
            17  O5a O    34.3000  -22.4700
            18  O5a O    39.2000  -22.4700
            19  O1a O    40.3900  -18.9700
            20  C1a C    41.5800  -19.6700
            21  C1a C    41.5800  -22.4700
            22  P1b P    45.4300  -21.0700
            23  O1c O    46.8300  -21.0700
            24  O1c O    45.4300  -22.4700
            25  C1y C    38.9200  -16.1000
            26  C1y C    40.3200  -16.1000
            27  C1y C    40.7400  -14.7700
            28  O2x O    39.6200  -13.9300
            29  C1y C    38.5000  -14.7700
            30  C1b C    42.0700  -14.3500
            31  O1a O    38.0800  -17.2200
            32  O2b O    41.1600  -17.2200
            33  P1b P    42.5600  -17.2200
            34  O1c O    42.5600  -15.8200
            35  O1c O    43.9600  -17.2200
            36  O1c O    42.5600  -18.6200
            37  C8y C    34.3700  -12.9500
            38  C8y C    34.3700  -14.3500
            39  N4y N    36.8200  -14.3500
            40  C8x C    36.8200  -12.9500
            41  N5x N    35.5600  -12.2500
            42  C8y C    33.1800  -12.2500
            43  N5x N    31.9200  -12.9500
            44  C8x C    31.9200  -14.3500
            45  N5x N    33.1800  -15.0500
            46  N1a N    33.1800  -10.8500
            47  O2b O    44.0300  -14.7700
            48  P1b P    45.4300  -14.7700
            49  O1c O    45.4300  -13.3700
            50  O1c O    46.8300  -14.7700
            51  O2c O    45.4300  -17.9900
            52  C1b C    25.9000  -20.4400
            53  C1b C    24.7100  -21.1400
            54  C2b C    23.5200  -20.4400
            55  C2b C    22.1200  -20.4400
            56  C1b C    20.9300  -21.1400
            57  C2b C    19.6700  -20.4400
            58  C2b C    18.2700  -20.4400
            59  C1b C    17.0800  -21.1400
            60  C2b C    15.8200  -20.4400
            61  C2b C    14.4900  -20.4400
            62  C1b C    13.2776  -21.1400
            63  C1b C    12.0651  -20.4400
            64  C1b C    10.8527  -21.1400
            65  C1b C     9.6403  -20.4400
            66  C1b C     8.4278  -21.1400
            67  C1b C     7.2154  -20.4400
            68  C1b C     6.0030  -21.1400
            69  C1a C     4.7905  -20.4400
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 2
            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 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

» Japanese version

DBGET integrated database retrieval system