KEGG   COMPOUND: C21932Help
Entry
C21932                      Compound                               

Name
Cerotoyl-CoA;
Hexacosanoyl-CoA
Formula
C47H86N7O17P3S
Exact mass
1145.5014
Mol weight
1146.2087
Structure
Mol fileKCF fileDB search
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21932  Hexacosanoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218965
KCF data Show

ATOM        75
            1   C1b C    36.7228  -19.9597
            2   C1b C    35.5878  -19.2921
            3   C1b C    34.5195  -19.9597
            4   C1b C    33.3177  -19.2921
            5   C1b C    32.1827  -19.9597
            6   C1b C    31.1145  -19.2921
            7   C1b C    29.9127  -19.9597
            8   C1b C    28.7777  -19.2921
            9   C1b C    27.6426  -19.9597
            10  C1b C    26.5076  -19.2921
            11  C1b C    25.3726  -19.9597
            12  C1b C    24.2376  -19.2921
            13  C1b C    23.1693  -19.9597
            14  C1b C    21.9676  -19.2921
            15  C1b C    20.8325  -19.9597
            16  C1b C    19.7643  -19.2921
            17  C1b C    18.5625  -19.9597
            18  C1b C    17.4275  -19.2921
            19  C1b C    16.2925  -19.9597
            20  C1b C    15.2242  -19.2921
            21  C1b C    14.0892  -19.9597
            22  C1b C    12.9542  -19.2921
            23  C1b C    11.8191  -19.9597
            24  C5a C    37.9246  -19.2921
            25  S2a S    39.0596  -19.9597
            26  C1b C    40.1946  -19.2921
            27  C1b C    41.3964  -19.9597
            28  N1b N    42.5314  -19.2921
            29  C5a C    43.6664  -19.9597
            30  C1b C    44.8682  -19.2921
            31  C1b C    46.0032  -19.9597
            32  N1b N    47.1383  -19.2921
            33  C5a C    48.3401  -19.9597
            34  C1c C    49.4751  -19.2921
            35  C1d C    50.6101  -19.9597
            36  C1b C    51.7451  -19.2921
            37  O2b O    52.9469  -19.9597
            38  O5a O    37.9246  -17.9568
            39  O5a O    43.6664  -21.2951
            40  O5a O    48.3401  -21.2951
            41  O1a O    49.4751  -17.9568
            42  C1a C    50.6101  -18.6244
            43  C1a C    50.6101  -21.2951
            44  P1b P    54.2822  -19.9597
            45  O1c O    55.6175  -19.9597
            46  O1c O    54.2822  -21.2951
            47  C1y C    48.0730  -15.2194
            48  C1y C    49.4083  -15.2194
            49  C1y C    49.8089  -13.9508
            50  O2x O    48.7406  -13.1496
            51  C1y C    47.6724  -13.9508
            52  C1b C    51.0775  -13.5502
            53  O1a O    47.2718  -16.2876
            54  O2b O    50.2095  -16.2876
            55  P1b P    51.5448  -16.2876
            56  O1c O    51.5448  -14.9523
            57  O1c O    52.8801  -16.2876
            58  O1c O    51.5448  -17.6229
            59  C8y C    43.7332  -12.2149
            60  C8y C    43.7332  -13.5502
            61  N4y N    46.0700  -13.5502
            62  C8x C    46.0700  -12.2149
            63  N5x N    44.8682  -11.5473
            64  C8y C    42.5982  -11.5473
            65  N5x N    41.3964  -12.2149
            66  C8x C    41.3964  -13.5502
            67  N5x N    42.5982  -14.2179
            68  N1a N    42.5982  -10.2119
            69  O2b O    52.9469  -13.9508
            70  P1b P    54.2822  -13.9508
            71  O1c O    54.2822  -12.6155
            72  O1c O    55.6175  -13.9508
            73  O2c O    54.2822  -17.0221
            74  C1b C    10.6176  -19.2500
            75  C1a C     9.4051  -19.9500
BOND        77
            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   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    1  24 1
            24   24  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   24  38 2
            38   29  39 2
            39   33  40 2
            40   34  41 1 #Down
            41   35  42 1
            42   35  43 1
            43   37  44 1
            44   44  45 2
            45   44  46 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   47  51 1
            51   49  52 1 #Down
            52   47  53 1 #Up
            53   48  54 1 #Up
            54   54  55 1
            55   55  56 1
            56   55  57 1
            57   55  58 2
            58   59  60 2
            59   60  61 1
            60   61  62 1
            61   62  63 2
            62   59  63 1
            63   59  64 1
            64   64  65 2
            65   65  66 1
            66   66  67 2
            67   60  67 1
            68   64  68 1
            69   51  61 1 #Down
            70   52  69 1
            71   69  70 1
            72   70  71 1
            73   70  72 2
            74   70  73 1
            75   44  73 1
            76   23  74 1
            77   74  75 1

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