KEGG   COMPOUND: C16376Help
Entry
C16376                      Compound                               

Name
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosa-6,9,12,15,18,21-hexaenoyl-CoA
Formula
C45H68N7O18P3S
Exact mass
1119.3554
Mol weight
1120.0438
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01212  Fatty acid metabolism
Module
M00861  beta-Oxidation, peroxisome, VLCFA
Enzyme
1.1.1.-         2.3.1.16        2.3.1.176
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16376  (6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205684
ChEBI: 65131
NIKKAJI: J2.802.541F
LinkDB All DBs
KCF data Show

ATOM        74
            1   C1b C    29.6800  -21.0000
            2   C5a C    28.4900  -20.3000
            3   C1b C    27.2300  -21.0000
            4   C1b C    26.0400  -20.3000
            5   C2b C    24.8500  -21.0000
            6   C2b C    23.4500  -21.0000
            7   C1b C    22.2600  -20.3000
            8   C2b C    21.0000  -21.0000
            9   C2b C    19.6000  -21.0000
            10  C1b C    18.4100  -20.3000
            11  C2b C    17.1500  -21.0000
            12  C2b C    15.7500  -21.0000
            13  C1b C    14.4900  -20.3000
            14  C2b C    13.3000  -21.0000
            15  C2b C    11.9000  -21.0000
            16  C1b C    10.7100  -20.3000
            17  C2b C     9.4500  -21.0000
            18  C2b C     8.0500  -21.0000
            19  C1b C     6.7900  -20.3000
            20  C2b C     5.6000  -21.0000
            21  C2b C     4.2000  -21.0000
            22  C1b C     2.9400  -20.3000
            23  C1a C     1.7500  -21.0000
            24  O5a O    28.4900  -18.9000
            25  C5a C    30.9400  -20.3000
            26  S2a S    32.1300  -21.0000
            27  C1b C    33.3200  -20.3000
            28  C1b C    34.5800  -21.0000
            29  N1b N    35.7700  -20.3000
            30  C5a C    36.9600  -21.0000
            31  C1b C    38.2200  -20.3000
            32  C1b C    39.4100  -21.0000
            33  N1b N    40.6000  -20.3000
            34  C5a C    41.8600  -21.0000
            35  C1c C    43.0500  -20.3000
            36  C1d C    44.2400  -21.0000
            37  C1b C    45.4300  -20.3000
            38  O2b O    46.6900  -21.0000
            39  O5a O    30.9400  -18.9000
            40  O5a O    36.9600  -22.4000
            41  O5a O    41.8600  -22.4000
            42  O1a O    43.0500  -18.9000
            43  C1a C    44.2400  -19.6000
            44  C1a C    44.2400  -22.4000
            45  P1b P    48.0900  -21.0000
            46  O1c O    49.4900  -21.0000
            47  O1c O    48.0900  -22.4000
            48  C1y C    41.5800  -16.0300
            49  C1y C    42.9800  -16.0300
            50  C1y C    43.4000  -14.7000
            51  O2x O    42.2800  -13.8600
            52  C1y C    41.1600  -14.7000
            53  C1b C    44.7300  -14.2800
            54  O1a O    40.7400  -17.1500
            55  O2b O    43.8200  -17.1500
            56  P1b P    45.2200  -17.1500
            57  O1c O    45.2200  -15.7500
            58  O1c O    46.6200  -17.1500
            59  O1c O    45.2200  -18.5500
            60  C8y C    37.0300  -12.8800
            61  C8y C    37.0300  -14.2800
            62  N4y N    39.4800  -14.2800
            63  C8x C    39.4800  -12.8800
            64  N5x N    38.2200  -12.1800
            65  C8y C    35.8400  -12.1800
            66  N5x N    34.5800  -12.8800
            67  C8x C    34.5800  -14.2800
            68  N5x N    35.8400  -14.9800
            69  N1a N    35.8400  -10.7800
            70  O2b O    46.6900  -14.7000
            71  P1b P    48.0900  -14.7000
            72  O1c O    48.0900  -13.3000
            73  O1c O    49.4900  -14.7000
            74  O2c O    48.0900  -17.9200
BOND        76
            1     1   2 1
            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 2
            21   21  22 1
            22   22  23 1
            23    2  24 2
            24    1  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   37  38 1
            38   25  39 2
            39   30  40 2
            40   34  41 2
            41   35  42 1 #Down
            42   36  43 1
            43   36  44 1
            44   38  45 1
            45   45  46 2
            46   45  47 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   51  52 1
            51   48  52 1
            52   50  53 1 #Down
            53   48  54 1 #Up
            54   49  55 1 #Up
            55   55  56 1
            56   56  57 1
            57   56  58 1
            58   56  59 2
            59   60  61 2
            60   61  62 1
            61   62  63 1
            62   63  64 2
            63   60  64 1
            64   60  65 1
            65   65  66 2
            66   66  67 1
            67   67  68 2
            68   61  68 1
            69   65  69 1
            70   52  62 1 #Down
            71   53  70 1
            72   70  71 1
            73   71  72 1
            74   71  73 2
            75   71  74 1
            76   45  74 1

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