KEGG   COMPOUND: C16168
Entry
C16168                      Compound                               

Name
(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
Formula
C45H70N7O17P3S
Exact mass
1105.3762
Mol weight
1106.0603
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Module
M00861  beta-Oxidation, peroxisome, VLCFA
Enzyme
1.3.3.6         1.14.19.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16168  (6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
Other DBs
PubChem: 47205478
ChEBI: 63540
NIKKAJI: J2.798.500I
KCF data

ATOM        73
            1   S2a S    32.6200  -23.0300
            2   C1b C    33.8100  -22.3300
            3   C1b C    35.0700  -23.0300
            4   N1b N    36.2600  -22.3300
            5   C5a C    37.4500  -23.0300
            6   C1b C    38.7100  -22.3300
            7   C1b C    39.9000  -23.0300
            8   N1b N    41.0900  -22.3300
            9   C5a C    42.3500  -23.0300
            10  C1c C    43.5400  -22.3300
            11  C1d C    44.7300  -23.0300
            12  C1b C    45.9200  -22.3300
            13  O2b O    47.1800  -23.0300
            14  O5a O    37.4500  -24.4300
            15  O5a O    42.3500  -24.4300
            16  O1a O    43.5400  -20.9300
            17  C1a C    44.7300  -21.6300
            18  C1a C    44.7300  -24.4300
            19  P1b P    48.5800  -23.0300
            20  O1c O    49.9800  -23.0300
            21  O1c O    48.5800  -24.4300
            22  C1y C    42.0700  -18.0600
            23  C1y C    43.4700  -18.0600
            24  C1y C    43.8900  -16.7300
            25  O2x O    42.7700  -15.8900
            26  C1y C    41.6500  -16.7300
            27  C1b C    45.2200  -16.3100
            28  O1a O    41.2300  -19.1800
            29  O2b O    44.3100  -19.1800
            30  P1b P    45.7100  -19.1800
            31  O1c O    45.7100  -17.7800
            32  O1c O    47.1100  -19.1800
            33  O1c O    45.7100  -20.5800
            34  C8y C    37.5200  -14.9100
            35  C8y C    37.5200  -16.3100
            36  N4y N    39.9700  -16.3100
            37  C8x C    39.9700  -14.9100
            38  N5x N    38.7100  -14.2100
            39  C8y C    36.3300  -14.2100
            40  N5x N    35.0700  -14.9100
            41  C8x C    35.0700  -16.3100
            42  N5x N    36.3300  -17.0100
            43  N1a N    36.3300  -12.8100
            44  O2b O    47.1800  -16.7300
            45  P1b P    48.5800  -16.7300
            46  O1c O    48.5800  -15.3300
            47  O1c O    49.9800  -16.7300
            48  O2c O    48.5800  -19.9500
            49  C5a C    31.5000  -22.3300
            50  O5a O    31.5000  -21.0700
            51  C1b C    30.3100  -23.0300
            52  C1b C    29.1200  -22.3300
            53  C1b C    27.8600  -23.0300
            54  C1b C    26.6700  -22.3300
            55  C2b C    25.4800  -23.0300
            56  C2b C    24.0800  -23.0300
            57  C1b C    22.8900  -22.3300
            58  C2b C    21.6300  -23.0300
            59  C2b C    20.2300  -23.0300
            60  C1b C    19.0400  -22.3300
            61  C2b C    17.7800  -23.0300
            62  C2b C    16.3800  -23.0300
            63  C1b C    15.1200  -22.3300
            64  C2b C    13.9300  -23.0300
            65  C2b C    12.5300  -23.0300
            66  C1b C    11.3400  -22.3300
            67  C2b C    10.0800  -23.0300
            68  C2b C     8.6800  -23.0300
            69  C1b C     7.4900  -22.3300
            70  C2b C     6.3000  -23.0300
            71  C2b C     4.9000  -23.0300
            72  C1b C     3.6400  -22.3300
            73  C1a C     2.4500  -23.0300
BOND        75
            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  54 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 2
            68   65  66 1
            69   66  67 1
            70   67  68 2
            71   68  69 1
            72   69  70 1
            73   70  71 2
            74   71  72 1
            75   72  73 1

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