KEGG   COMPOUND: C16168Help
Entry
C16168                      Compound                               

Name
(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
Formula
C45H70N7O17P3S
Exact mass
1105.3762
Mol weight
1106.0603
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
PubChem: 47205478
ChEBI: 63540
NIKKAJI: J2.798.500I
KCF data Show

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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