KEGG   COMPOUND: C17279Help
Entry
C17279                      Compound                               

Name
Ximenoyl-CoA;
(17Z)-Hexacosenoyl-CoA
Formula
C47H84N7O17P3S
Exact mass
1143.4857
Mol weight
1144.1928
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
    C17279  (17Z)-Hexacosenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218950
LinkDB All DBs
KCF data Show

ATOM        75
            1   C1b C    24.7100  -21.1400
            2   C1b C    23.4500  -20.4400
            3   C1b C    22.3300  -21.1400
            4   C1b C    21.2100  -20.4400
            5   C1b C    19.9500  -21.1400
            6   C1b C    18.7600  -20.4400
            7   C1b C    17.6400  -21.1400
            8   C2b C    16.3800  -20.4400
            9   C2b C    14.9800  -20.4400
            10  C1b C    13.7900  -21.1400
            11  C1b C    12.5300  -20.4400
            12  C1b C    11.4100  -21.1400
            13  C1b C    10.2200  -20.4400
            14  C1b C     9.0300  -21.1400
            15  C1b C     7.9100  -20.4400
            16  C1b C     6.7200  -21.0700
            17  C1a C     5.5300  -20.3000
            18  C1b C    25.9000  -20.4400
            19  C1b C    27.1600  -21.1400
            20  C1b C    28.3500  -20.4400
            21  C1b C    29.5400  -21.1400
            22  C1b C    30.7300  -20.4400
            23  C1b C    31.9900  -21.1400
            24  C1b C    33.1800  -20.4400
            25  C1b C    34.3700  -21.1400
            26  C5a C    35.6300  -20.4400
            27  S2a S    36.8200  -21.1400
            28  C1b C    38.0100  -20.4400
            29  C1b C    39.2700  -21.1400
            30  N1b N    40.4600  -20.4400
            31  C5a C    41.6500  -21.1400
            32  C1b C    42.9100  -20.4400
            33  C1b C    44.1000  -21.1400
            34  N1b N    45.2900  -20.4400
            35  C5a C    46.5500  -21.1400
            36  C1c C    47.7400  -20.4400
            37  C1d C    48.9300  -21.1400
            38  C1b C    50.1200  -20.4400
            39  O2b O    51.3800  -21.1400
            40  O5a O    35.6300  -19.0400
            41  O5a O    41.6500  -22.5400
            42  O5a O    46.5500  -22.5400
            43  O1a O    47.7400  -19.0400
            44  C1a C    48.9300  -19.7400
            45  C1a C    48.9300  -22.5400
            46  P1b P    52.7800  -21.1400
            47  O1c O    54.1800  -21.1400
            48  O1c O    52.7800  -22.5400
            49  C1y C    46.2700  -16.1700
            50  C1y C    47.6700  -16.1700
            51  C1y C    48.0900  -14.8400
            52  O2x O    46.9700  -14.0000
            53  C1y C    45.8500  -14.8400
            54  C1b C    49.4200  -14.4200
            55  O1a O    45.4300  -17.2900
            56  O2b O    48.5100  -17.2900
            57  P1b P    49.9100  -17.2900
            58  O1c O    49.9100  -15.8900
            59  O1c O    51.3100  -17.2900
            60  O1c O    49.9100  -18.6900
            61  C8y C    41.7200  -13.0200
            62  C8y C    41.7200  -14.4200
            63  N4y N    44.1700  -14.4200
            64  C8x C    44.1700  -13.0200
            65  N5x N    42.9100  -12.3200
            66  C8y C    40.5300  -12.3200
            67  N5x N    39.2700  -13.0200
            68  C8x C    39.2700  -14.4200
            69  N5x N    40.5300  -15.1200
            70  N1a N    40.5300  -10.9200
            71  O2b O    51.3800  -14.8400
            72  P1b P    52.7800  -14.8400
            73  O1c O    52.7800  -13.4400
            74  O1c O    54.1800  -14.8400
            75  O2c O    52.7800  -18.0600
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 2
            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    1  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  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   37  38 1
            38   38  39 1
            39   26  40 2
            40   31  41 2
            41   35  42 2
            42   36  43 1 #Down
            43   37  44 1
            44   37  45 1
            45   39  46 1
            46   46  47 2
            47   46  48 1
            48   49  50 1
            49   50  51 1
            50   51  52 1
            51   52  53 1
            52   49  53 1
            53   51  54 1 #Down
            54   49  55 1 #Up
            55   50  56 1 #Up
            56   56  57 1
            57   57  58 1
            58   57  59 1
            59   57  60 2
            60   61  62 2
            61   62  63 1
            62   63  64 1
            63   64  65 2
            64   61  65 1
            65   61  66 1
            66   66  67 2
            67   67  68 1
            68   68  69 2
            69   62  69 1
            70   66  70 1
            71   53  63 1 #Down
            72   54  71 1
            73   71  72 1
            74   72  73 1
            75   72  74 2
            76   72  75 1
            77   46  75 1

» Japanese version

DBGET integrated database retrieval system