KEGG   COMPOUND: C16167Help
Entry
C16167                      Compound                               

Name
(9Z,12Z,15Z,18Z,21Z)-Tetracosapentaenoyl-CoA
Formula
C45H72N7O17P3S
Exact mass
1107.3918
Mol weight
1108.0762
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
Other DBs
PubChem: 47205477
ChEBI: 80359
NIKKAJI: J2.798.490H
LinkDB All DBs
KCF data Show

ATOM        73
            1   S2a S    32.2700  -23.6600
            2   C1b C    33.4600  -22.9600
            3   C1b C    34.7200  -23.6600
            4   N1b N    35.9100  -22.9600
            5   C5a C    37.1000  -23.6600
            6   C1b C    38.3600  -22.9600
            7   C1b C    39.5500  -23.6600
            8   N1b N    40.7400  -22.9600
            9   C5a C    42.0000  -23.6600
            10  C1c C    43.1900  -22.9600
            11  C1d C    44.3800  -23.6600
            12  C1b C    45.5700  -22.9600
            13  O2b O    46.8300  -23.6600
            14  O5a O    37.1000  -25.0600
            15  O5a O    42.0000  -25.0600
            16  O1a O    43.1900  -21.5600
            17  C1a C    44.3800  -22.2600
            18  C1a C    44.3800  -25.0600
            19  P1b P    48.2300  -23.6600
            20  O1c O    49.6300  -23.6600
            21  O1c O    48.2300  -25.0600
            22  C1y C    41.7200  -18.6900
            23  C1y C    43.1200  -18.6900
            24  C1y C    43.5400  -17.3600
            25  O2x O    42.4200  -16.5200
            26  C1y C    41.3000  -17.3600
            27  C1b C    44.8700  -16.9400
            28  O1a O    40.8800  -19.8100
            29  O2b O    43.9600  -19.8100
            30  P1b P    45.3600  -19.8100
            31  O1c O    45.3600  -18.4100
            32  O1c O    46.7600  -19.8100
            33  O1c O    45.3600  -21.2100
            34  C8y C    37.1700  -15.5400
            35  C8y C    37.1700  -16.9400
            36  N4y N    39.6200  -16.9400
            37  C8x C    39.6200  -15.5400
            38  N5x N    38.3600  -14.8400
            39  C8y C    35.9800  -14.8400
            40  N5x N    34.7200  -15.5400
            41  C8x C    34.7200  -16.9400
            42  N5x N    35.9800  -17.6400
            43  N1a N    35.9800  -13.4400
            44  O2b O    46.8300  -17.3600
            45  P1b P    48.2300  -17.3600
            46  O1c O    48.2300  -15.9600
            47  O1c O    49.6300  -17.3600
            48  O2c O    48.2300  -20.5800
            49  C5a C    31.1500  -22.9600
            50  O5a O    31.1500  -21.6300
            51  C1b C    29.9600  -23.6600
            52  C1b C    28.7700  -22.9600
            53  C1b C    27.5100  -23.6600
            54  C1b C    26.3200  -22.9600
            55  C1b C    25.0600  -23.6600
            56  C1b C    23.8700  -22.9600
            57  C1b C    22.6800  -23.6600
            58  C2b C    21.4900  -22.9600
            59  C2b C    20.0900  -22.9600
            60  C1b C    18.9000  -23.6600
            61  C2b C    17.7100  -22.9600
            62  C2b C    16.3100  -22.9600
            63  C1b C    15.1200  -23.6600
            64  C2b C    13.9300  -22.9600
            65  C2b C    12.5300  -22.9600
            66  C1b C    11.2700  -23.6600
            67  C2b C    10.0800  -22.9600
            68  C2b C     8.7500  -22.9600
            69  C1b C     7.4900  -23.6600
            70  C2b C     6.3000  -22.9600
            71  C2b C     4.9000  -22.9600
            72  C1b C     3.6400  -23.6600
            73  C1a C     2.4500  -22.9600
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 2
            74   71  72 1
            75   72  73 1

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