KEGG   COMPOUND: C16171Help
Entry
C16171                      Compound                               

Name
(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA
Formula
C45H74N7O17P3S
Exact mass
1109.4075
Mol weight
1110.092
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Fatty acid metabolism
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
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KCF data Show

ATOM        73
            1   S2a S    32.0600  -23.9400
            2   C1b C    33.2500  -23.2400
            3   C1b C    34.5100  -23.9400
            4   N1b N    35.7000  -23.2400
            5   C5a C    36.8900  -23.9400
            6   C1b C    38.1500  -23.2400
            7   C1b C    39.3400  -23.9400
            8   N1b N    40.5300  -23.2400
            9   C5a C    41.7900  -23.9400
            10  C1c C    42.9800  -23.2400
            11  C1d C    44.1700  -23.9400
            12  C1b C    45.3600  -23.2400
            13  O2b O    46.6200  -23.9400
            14  O5a O    36.8900  -25.3400
            15  O5a O    41.7900  -25.3400
            16  O1a O    42.9800  -21.8400
            17  C1a C    44.1700  -22.5400
            18  C1a C    44.1700  -25.3400
            19  P1b P    48.0200  -23.9400
            20  O1c O    49.4200  -23.9400
            21  O1c O    48.0200  -25.3400
            22  C1y C    41.5100  -18.9700
            23  C1y C    42.9100  -18.9700
            24  C1y C    43.3300  -17.6400
            25  O2x O    42.2100  -16.8000
            26  C1y C    41.0900  -17.6400
            27  C1b C    44.6600  -17.2200
            28  O1a O    40.6700  -20.0900
            29  O2b O    43.7500  -20.0900
            30  P1b P    45.1500  -20.0900
            31  O1c O    45.1500  -18.6900
            32  O1c O    46.5500  -20.0900
            33  O1c O    45.1500  -21.4900
            34  C8y C    36.9600  -15.8200
            35  C8y C    36.9600  -17.2200
            36  N4y N    39.4100  -17.2200
            37  C8x C    39.4100  -15.8200
            38  N5x N    38.1500  -15.1200
            39  C8y C    35.7700  -15.1200
            40  N5x N    34.5100  -15.8200
            41  C8x C    34.5100  -17.2200
            42  N5x N    35.7700  -17.9200
            43  N1a N    35.7700  -13.7200
            44  O2b O    46.6200  -17.6400
            45  P1b P    48.0200  -17.6400
            46  O1c O    48.0200  -16.2400
            47  O1c O    49.4200  -17.6400
            48  O2c O    48.0200  -20.8600
            49  C5a C    30.9400  -23.2400
            50  O5a O    30.9400  -21.9100
            51  C1b C    29.7500  -23.9400
            52  C1b C    28.5600  -23.2400
            53  C1b C    27.3000  -23.9400
            54  C1b C    26.1100  -23.2400
            55  C1b C    24.9200  -23.9400
            56  C1b C    23.7300  -23.2400
            57  C1b C    22.5400  -23.9400
            58  C2b C    21.3500  -23.2400
            59  C2b C    19.9500  -23.2400
            60  C1b C    18.7600  -23.9400
            61  C2b C    17.5000  -23.2400
            62  C2b C    16.1000  -23.2400
            63  C1b C    14.9100  -23.9400
            64  C2b C    13.7200  -23.2400
            65  C2b C    12.3900  -23.2400
            66  C1b C    11.1300  -23.9400
            67  C2b C     9.9400  -23.2400
            68  C2b C     8.6100  -23.2400
            69  C1b C     7.3500  -23.9400
            70  C1b C     6.1600  -23.2400
            71  C1b C     4.9000  -23.9400
            72  C1b C     3.7100  -23.2400
            73  C1a C     2.4500  -23.9400
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   54  55 1
            58   55  56 1
            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 1
            74   71  72 1
            75   72  73 1

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