KEGG   COMPOUND: C06736
Entry
C06736                      Compound                               

Name
(E)-11-Tetradecenoyl-CoA;
(11E)-Tetradecenoyl-CoA
Formula
C35H60N7O17P3S
Exact mass
975.2979
Mol weight
975.8739
Structure
Reaction
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C06736  (11E)-Tetradecenoyl-CoA
Other DBs
PubChem: 8958
ChEBI: 15460
LIPIDMAPS: LMFA07050303
3DMET: B05226
NIKKAJI: J2.763.875I
KCF data

ATOM        63
            1   C1b C    16.3100  -20.5800
            2   C5a C    17.5700  -19.8800
            3   S2a S    18.7600  -20.5800
            4   C1b C    19.9500  -19.8800
            5   C1b C    21.2100  -20.5800
            6   N1b N    22.4000  -19.8800
            7   C5a C    23.5900  -20.5800
            8   C1b C    24.8500  -19.8800
            9   C1b C    26.0400  -20.5800
            10  N1b N    27.2300  -19.8800
            11  C5a C    28.4900  -20.5800
            12  C1c C    29.6800  -19.8800
            13  C1d C    30.8700  -20.5800
            14  C1b C    32.0600  -19.8800
            15  O2b O    33.3200  -20.5800
            16  O5a O    17.5700  -18.4800
            17  O5a O    23.5900  -21.9800
            18  O5a O    28.4900  -21.9800
            19  O1a O    29.6800  -18.4800
            20  C1a C    30.8700  -19.1800
            21  C1a C    30.8700  -21.9800
            22  P1b P    34.7200  -20.5800
            23  O1c O    36.1200  -20.5800
            24  O1c O    34.7200  -21.9800
            25  C1y C    28.2100  -15.6100
            26  C1y C    29.6100  -15.6100
            27  C1y C    30.0300  -14.2800
            28  O2x O    28.9100  -13.4400
            29  C1y C    27.7900  -14.2800
            30  C1b C    31.3600  -13.8600
            31  O1a O    27.3700  -16.7300
            32  O2b O    30.4500  -16.7300
            33  P1b P    31.8500  -16.7300
            34  O1c O    31.8500  -15.3300
            35  O1c O    33.2500  -16.7300
            36  O1c O    31.8500  -18.1300
            37  C8y C    23.6600  -12.4600
            38  C8y C    23.6600  -13.8600
            39  N4y N    26.1100  -13.8600
            40  C8x C    26.1100  -12.4600
            41  N5x N    24.8500  -11.7600
            42  C8y C    22.4700  -11.7600
            43  N5x N    21.2100  -12.4600
            44  C8x C    21.2100  -13.8600
            45  N5x N    22.4700  -14.5600
            46  N1a N    22.4700  -10.3600
            47  O2b O    33.3200  -14.2800
            48  P1b P    34.7200  -14.2800
            49  O1c O    34.7200  -12.8800
            50  O1c O    36.1200  -14.2800
            51  O2c O    34.7200  -17.5000
            52  C1b C    15.1200  -19.8800
            53  C1b C    13.8600  -20.5800
            54  C1b C    12.6000  -19.8800
            55  C1b C    11.4100  -20.5100
            56  C1b C    10.2200  -19.8100
            57  C1b C     8.9600  -20.5100
            58  C1b C     7.7700  -19.8100
            59  C1b C     6.5800  -20.5100
            60  C2b C     5.3900  -19.8100
            61  C2b C     4.1300  -20.4400
            62  C1b C     2.9400  -19.7400
            63  C1a C     1.7500  -20.4400
BOND        65
            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 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1

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