KEGG   COMPOUND: C16387Help
Entry
C16387                      Compound                               

Name
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-CoA;
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosa-2,6,9,12,15,18-hexaenoyl-CoA
Formula
C45H70N7O17P3S
Exact mass
1105.3762
Mol weight
1106.0603
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01212  Fatty acid metabolism
Module
M00861  beta-Oxidation, peroxisome, VLCFA
Enzyme
1.3.3.6         4.2.1.119
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16387  (2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205685
ChEBI: 80481
NIKKAJI: J2.802.550E
LinkDB All DBs
KCF data Show

ATOM        73
            1   C2b C    29.4000  -21.0000
            2   C2b C    28.2100  -20.3000
            3   C1b C    26.9500  -21.0000
            4   C1b C    25.7600  -20.3000
            5   C2b C    24.5700  -21.0000
            6   C2b C    23.1700  -21.0000
            7   C1b C    21.9800  -20.3000
            8   C2b C    20.7200  -21.0000
            9   C2b C    19.3200  -21.0000
            10  C1b C    18.1300  -20.3000
            11  C2b C    16.8700  -21.0000
            12  C2b C    15.4700  -21.0000
            13  C1b C    14.2100  -20.3000
            14  C2b C    13.0200  -21.0000
            15  C2b C    11.6200  -21.0000
            16  C1b C    10.4300  -20.3000
            17  C2b C     9.1700  -21.0000
            18  C2b C     7.7700  -21.0000
            19  C1b C     6.5800  -20.3000
            20  C1b C     5.3900  -21.0000
            21  C1b C     4.1300  -20.3000
            22  C1b C     2.9400  -21.0000
            23  C1a C     1.7500  -20.3000
            24  C5a C    30.6600  -20.3000
            25  S2a S    31.8500  -21.0000
            26  C1b C    33.0400  -20.3000
            27  C1b C    34.3000  -21.0000
            28  N1b N    35.4900  -20.3000
            29  C5a C    36.6800  -21.0000
            30  C1b C    37.9400  -20.3000
            31  C1b C    39.1300  -21.0000
            32  N1b N    40.3200  -20.3000
            33  C5a C    41.5800  -21.0000
            34  C1c C    42.7700  -20.3000
            35  C1d C    43.9600  -21.0000
            36  C1b C    45.1500  -20.3000
            37  O2b O    46.4100  -21.0000
            38  O5a O    30.6600  -18.9000
            39  O5a O    36.6800  -22.4000
            40  O5a O    41.5800  -22.4000
            41  O1a O    42.7700  -18.9000
            42  C1a C    43.9600  -19.6000
            43  C1a C    43.9600  -22.4000
            44  P1b P    47.8100  -21.0000
            45  O1c O    49.2100  -21.0000
            46  O1c O    47.8100  -22.4000
            47  C1y C    41.3000  -16.0300
            48  C1y C    42.7000  -16.0300
            49  C1y C    43.1200  -14.7000
            50  O2x O    42.0000  -13.8600
            51  C1y C    40.8800  -14.7000
            52  C1b C    44.4500  -14.2800
            53  O1a O    40.4600  -17.1500
            54  O2b O    43.5400  -17.1500
            55  P1b P    44.9400  -17.1500
            56  O1c O    44.9400  -15.7500
            57  O1c O    46.3400  -17.1500
            58  O1c O    44.9400  -18.5500
            59  C8y C    36.7500  -12.8800
            60  C8y C    36.7500  -14.2800
            61  N4y N    39.2000  -14.2800
            62  C8x C    39.2000  -12.8800
            63  N5x N    37.9400  -12.1800
            64  C8y C    35.5600  -12.1800
            65  N5x N    34.3000  -12.8800
            66  C8x C    34.3000  -14.2800
            67  N5x N    35.5600  -14.9800
            68  N1a N    35.5600  -10.7800
            69  O2b O    46.4100  -14.7000
            70  P1b P    47.8100  -14.7000
            71  O1c O    47.8100  -13.3000
            72  O1c O    49.2100  -14.7000
            73  O2c O    47.8100  -17.9200
BOND        75
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    1  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   24  38 2
            38   29  39 2
            39   33  40 2
            40   34  41 1 #Down
            41   35  42 1
            42   35  43 1
            43   37  44 1
            44   44  45 2
            45   44  46 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   47  51 1
            51   49  52 1 #Down
            52   47  53 1 #Up
            53   48  54 1 #Up
            54   54  55 1
            55   55  56 1
            56   55  57 1
            57   55  58 2
            58   59  60 2
            59   60  61 1
            60   61  62 1
            61   62  63 2
            62   59  63 1
            63   59  64 1
            64   64  65 2
            65   65  66 1
            66   66  67 2
            67   60  67 1
            68   64  68 1
            69   51  61 1 #Down
            70   52  69 1
            71   69  70 1
            72   70  71 1
            73   70  72 2
            74   70  73 1
            75   44  73 1

» Japanese version

DBGET integrated database retrieval system