KEGG   COMPOUND: C02249Help
Entry
C02249                      Compound                               

Name
Arachidonyl-CoA;
Arachidonoyl-CoA;
(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
Formula
C41H66N7O17P3S
Exact mass
1053.3449
Mol weight
1053.9857
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
map04216  Ferroptosis
map04913  Ovarian steroidogenesis
Enzyme
1.14.19.44      3.1.2.2         6.2.1.15
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02249  (5Z,8Z,11Z,14Z)-Icosatetraenonyl-CoA
BRITE hierarchy
Other DBs
CAS: 17046-56-9
PubChem: 5312
ChEBI: 15514
LIPIDMAPS: LMFA07050288
3DMET: B04843
NIKKAJI: J1.245.388D
KCF data Show

ATOM        69
            1   C1b C    42.9800  -33.5300
            2   C5a C    44.2400  -32.8300
            3   S2a S    45.4300  -33.5300
            4   C1b C    46.6200  -32.8300
            5   C1b C    47.8800  -33.5300
            6   N1b N    49.0700  -32.8300
            7   C5a C    50.2600  -33.5300
            8   C1b C    51.5200  -32.8300
            9   C1b C    52.7100  -33.5300
            10  N1b N    53.9000  -32.8300
            11  C5a C    55.1600  -33.5300
            12  C1c C    56.3500  -32.8300
            13  C1d C    57.5400  -33.5300
            14  C1b C    58.7300  -32.8300
            15  O2b O    59.9900  -33.5300
            16  O5a O    44.2400  -31.4300
            17  O5a O    50.2600  -34.9300
            18  O5a O    55.1600  -34.9300
            19  O1a O    56.3500  -31.4300
            20  C1a C    57.5400  -32.1300
            21  C1a C    57.5400  -34.9300
            22  P1b P    61.3900  -33.5300
            23  O1c O    62.7900  -33.5300
            24  O1c O    61.3900  -34.9300
            25  C1y C    54.8800  -28.5600
            26  C1y C    56.2800  -28.5600
            27  C1y C    56.7000  -27.2300
            28  O2x O    55.5800  -26.3900
            29  C1y C    54.4600  -27.2300
            30  C1b C    58.0300  -26.8100
            31  O1a O    54.0400  -29.6800
            32  O2b O    57.1200  -29.6800
            33  P1b P    58.5200  -29.6800
            34  O1c O    58.5200  -28.2800
            35  O1c O    59.9200  -29.6800
            36  O1c O    58.5200  -31.0800
            37  C8y C    50.3300  -25.4100
            38  C8y C    50.3300  -26.8100
            39  N4y N    52.7800  -26.8100
            40  C8x C    52.7800  -25.4100
            41  N5x N    51.5200  -24.7100
            42  C8y C    49.1400  -24.7100
            43  N5x N    47.8800  -25.4100
            44  C8x C    47.8800  -26.8100
            45  N5x N    49.1400  -27.5100
            46  N1a N    49.1400  -23.3100
            47  O2b O    59.9900  -27.2300
            48  P1b P    61.3900  -27.2300
            49  O1c O    61.3900  -25.8300
            50  O1c O    62.7900  -27.2300
            51  O2c O    61.3900  -30.4500
            52  C1b C    41.8600  -32.8300
            53  C1b C    40.6700  -33.5300
            54  C2b C    39.4800  -32.8300
            55  C2b C    38.0800  -32.8300
            56  C1b C    36.8900  -33.4600
            57  C2b C    35.7000  -32.7600
            58  C2b C    34.3000  -32.7600
            59  C1b C    33.1100  -33.4600
            60  C2b C    31.9900  -32.8300
            61  C2b C    30.5900  -32.8300
            62  C1b C    29.4000  -33.4600
            63  C2b C    28.2100  -32.7600
            64  C2b C    26.8100  -32.7600
            65  C1b C    25.6200  -33.4600
            66  C1b C    24.4300  -32.7600
            67  C1b C    23.2400  -33.4600
            68  C1b C    22.0500  -32.7600
            69  C1a C    20.7900  -33.4600
BOND        71
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 1
            60   57  58 2
            61   58  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

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