KEGG   COMPOUND: C16164
Entry
C16164                      Compound                               

Name
(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA;
(8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoyl-CoA
Formula
C41H66N7O17P3S
Exact mass
1053.3449
Mol weight
1053.9857
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       1.14.19.44
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16164  (8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA
Other DBs
PubChem: 47205474
NIKKAJI: J2.798.476B
KCF data

ATOM        69
            1   S2a S    27.4400  -24.7800
            2   C1b C    28.6300  -24.0800
            3   C1b C    29.8900  -24.7800
            4   N1b N    31.0800  -24.0800
            5   C5a C    32.2700  -24.7800
            6   C1b C    33.5300  -24.0800
            7   C1b C    34.7200  -24.7800
            8   N1b N    35.9100  -24.0800
            9   C5a C    37.1700  -24.7800
            10  C1c C    38.3600  -24.0800
            11  C1d C    39.5500  -24.7800
            12  C1b C    40.7400  -24.0800
            13  O2b O    42.0000  -24.7800
            14  O5a O    32.2700  -26.1800
            15  O5a O    37.1700  -26.1800
            16  O1a O    38.3600  -22.6800
            17  C1a C    39.5500  -23.3800
            18  C1a C    39.5500  -26.1800
            19  P1b P    43.4000  -24.7800
            20  O1c O    44.8000  -24.7800
            21  O1c O    43.4000  -26.1800
            22  C1y C    36.8900  -19.8100
            23  C1y C    38.2900  -19.8100
            24  C1y C    38.7100  -18.4800
            25  O2x O    37.5900  -17.6400
            26  C1y C    36.4700  -18.4800
            27  C1b C    40.0400  -18.0600
            28  O1a O    36.0500  -20.9300
            29  O2b O    39.1300  -20.9300
            30  P1b P    40.5300  -20.9300
            31  O1c O    40.5300  -19.5300
            32  O1c O    41.9300  -20.9300
            33  O1c O    40.5300  -22.3300
            34  C8y C    32.3400  -16.6600
            35  C8y C    32.3400  -18.0600
            36  N4y N    34.7900  -18.0600
            37  C8x C    34.7900  -16.6600
            38  N5x N    33.5300  -15.9600
            39  C8y C    31.1500  -15.9600
            40  N5x N    29.8900  -16.6600
            41  C8x C    29.8900  -18.0600
            42  N5x N    31.1500  -18.7600
            43  N1a N    31.1500  -14.5600
            44  O2b O    42.0000  -18.4800
            45  P1b P    43.4000  -18.4800
            46  O1c O    43.4000  -17.0800
            47  O1c O    44.8000  -18.4800
            48  O2c O    43.4000  -21.7000
            49  C5a C    26.3200  -24.0800
            50  O5a O    26.3200  -22.8200
            51  C1b C    25.1300  -24.7800
            52  C1b C    23.9400  -24.0800
            53  C1b C    22.6800  -24.7800
            54  C1b C    21.4900  -24.0800
            55  C1b C    20.3000  -24.7800
            56  C1b C    19.1100  -24.0800
            57  C2b C    17.8500  -24.7800
            58  C2b C    16.4500  -24.7800
            59  C1b C    15.2600  -24.0800
            60  C2b C    14.0000  -24.7800
            61  C2b C    12.6000  -24.7800
            62  C1b C    11.3400  -24.0800
            63  C2b C    10.1500  -24.7800
            64  C2b C     8.7500  -24.7800
            65  C1b C     7.5600  -24.0800
            66  C2b C     6.3000  -24.7800
            67  C2b C     4.9000  -24.7800
            68  C1b C     3.6400  -24.0800
            69  C1a C     2.4500  -24.7800
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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 2
            53   49  51 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   55  56 1
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  60 1
            62   60  61 2
            63   61  62 1
            64   62  63 1
            65   63  64 2
            66   64  65 1
            67   65  66 1
            68   66  67 2
            69   67  68 1
            70   68  69 1
            71   55  54 1

» Japanese version

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Ontology (1)   
   KEGG BRITE (1)   
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (3)   
   PubChem (1)   
   HMDB (1)   
   NIKKAJI (1)   
Chemical reaction (4)   
   KEGG ENZYME (2)   
   KEGG REACTION (2)   
Gene (434)   
   KEGG GENES (434)   
All databases (444)   

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