KEGG   COMPOUND: C16170Help
Entry
C16170                      Compound                               

Name
(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA
Formula
C43H70N7O17P3S
Exact mass
1081.3762
Mol weight
1082.0389
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
map04216  Ferroptosis
Enzyme
3.1.2.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16170  (7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205480
NIKKAJI: J2.798.502E
LinkDB All DBs
KCF data Show

ATOM        71
            1   S2a S    29.6800  -24.7100
            2   C1b C    30.8700  -24.0100
            3   C1b C    32.1300  -24.7100
            4   N1b N    33.3200  -24.0100
            5   C5a C    34.5100  -24.7100
            6   C1b C    35.7700  -24.0100
            7   C1b C    36.9600  -24.7100
            8   N1b N    38.1500  -24.0100
            9   C5a C    39.4100  -24.7100
            10  C1c C    40.6000  -24.0100
            11  C1d C    41.7900  -24.7100
            12  C1b C    42.9800  -24.0100
            13  O2b O    44.2400  -24.7100
            14  O5a O    34.5100  -26.1100
            15  O5a O    39.4100  -26.1100
            16  O1a O    40.6000  -22.6100
            17  C1a C    41.7900  -23.3100
            18  C1a C    41.7900  -26.1100
            19  P1b P    45.6400  -24.7100
            20  O1c O    47.0400  -24.7100
            21  O1c O    45.6400  -26.1100
            22  C1y C    39.1300  -19.7400
            23  C1y C    40.5300  -19.7400
            24  C1y C    40.9500  -18.4100
            25  O2x O    39.8300  -17.5700
            26  C1y C    38.7100  -18.4100
            27  C1b C    42.2800  -17.9900
            28  O1a O    38.2900  -20.8600
            29  O2b O    41.3700  -20.8600
            30  P1b P    42.7700  -20.8600
            31  O1c O    42.7700  -19.4600
            32  O1c O    44.1700  -20.8600
            33  O1c O    42.7700  -22.2600
            34  C8y C    34.5800  -16.5900
            35  C8y C    34.5800  -17.9900
            36  N4y N    37.0300  -17.9900
            37  C8x C    37.0300  -16.5900
            38  N5x N    35.7700  -15.8900
            39  C8y C    33.3900  -15.8900
            40  N5x N    32.1300  -16.5900
            41  C8x C    32.1300  -17.9900
            42  N5x N    33.3900  -18.6900
            43  N1a N    33.3900  -14.4900
            44  O2b O    44.2400  -18.4100
            45  P1b P    45.6400  -18.4100
            46  O1c O    45.6400  -17.0100
            47  O1c O    47.0400  -18.4100
            48  O2c O    45.6400  -21.6300
            49  C5a C    28.5600  -24.0100
            50  O5a O    28.5600  -22.6800
            51  C1b C    27.3700  -24.7100
            52  C1b C    26.1800  -24.0100
            53  C1b C    24.9200  -24.7100
            54  C1b C    23.7300  -24.0100
            55  C1b C    22.5400  -24.7100
            56  C2b C    21.3500  -24.0100
            57  C2b C    19.9500  -24.0100
            58  C1b C    18.7600  -24.7100
            59  C2b C    17.5000  -24.0100
            60  C2b C    16.1000  -24.0100
            61  C1b C    14.9100  -24.7100
            62  C2b C    13.7200  -24.0100
            63  C2b C    12.3900  -24.0100
            64  C1b C    11.1300  -24.7100
            65  C2b C     9.9400  -24.0100
            66  C2b C     8.6100  -24.0100
            67  C1b C     7.3500  -24.7100
            68  C1b C     6.1600  -24.0100
            69  C1b C     4.9000  -24.7100
            70  C1b C     3.7100  -24.0100
            71  C1a C     2.4500  -24.7100
BOND        73
            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 2
            60   57  58 1
            61   58  59 1
            62   59  60 2
            63   60  61 1
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 1
            68   65  66 2
            69   66  67 1
            70   67  68 1
            71   68  69 1
            72   69  70 1
            73   70  71 1

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