KEGG   COMPOUND: C07296
Entry
C07296                      Compound                               
Name
4,8,12-Trimethyltridecanoyl-CoA
Formula
C37H66N7O17P3S
Exact mass
1005.3449
Mol weight
1005.9429
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C07296  4,8,12-Trimethyltridecanoyl-CoA
Other DBs
PubChem: 9505
ChEBI: 15495
LIPIDMAPS: LMFA07050259
NIKKAJI: J2.765.001E
KCF data

ATOM        65
            1   C1b C    38.2900  -23.1700
            2   C5a C    39.5500  -22.4700
            3   S2a S    40.7400  -23.1700
            4   C1b C    41.9300  -22.4700
            5   C1b C    43.1900  -23.1700
            6   N1b N    44.3800  -22.4700
            7   C5a C    45.5700  -23.1700
            8   C1b C    46.8300  -22.4700
            9   C1b C    48.0200  -23.1700
            10  N1b N    49.2100  -22.4700
            11  C5a C    50.4700  -23.1700
            12  C1c C    51.6600  -22.4700
            13  C1d C    52.8500  -23.1700
            14  C1b C    54.0400  -22.4700
            15  O2b O    55.3000  -23.1700
            16  O5a O    39.5500  -21.0700
            17  O5a O    45.5700  -24.5700
            18  O5a O    50.4700  -24.5700
            19  O1a O    51.6600  -21.0700
            20  C1a C    52.8500  -21.7700
            21  C1a C    52.8500  -24.5700
            22  P1b P    56.7000  -23.1700
            23  O1c O    58.1000  -23.1700
            24  O1c O    56.7000  -24.5700
            25  C1y C    50.1900  -18.2000
            26  C1y C    51.5900  -18.2000
            27  C1y C    52.0100  -16.8700
            28  O2x O    50.8900  -16.0300
            29  C1y C    49.7700  -16.8700
            30  C1b C    53.3400  -16.4500
            31  O1a O    49.3500  -19.3200
            32  O2b O    52.4300  -19.3200
            33  P1b P    53.8300  -19.3200
            34  O1c O    53.8300  -17.9200
            35  O1c O    55.2300  -19.3200
            36  O1c O    53.8300  -20.7200
            37  C8y C    45.6400  -15.0500
            38  C8y C    45.6400  -16.4500
            39  N4y N    48.0900  -16.4500
            40  C8x C    48.0900  -15.0500
            41  N5x N    46.8300  -14.3500
            42  C8y C    44.4500  -14.3500
            43  N5x N    43.1900  -15.0500
            44  C8x C    43.1900  -16.4500
            45  N5x N    44.4500  -17.1500
            46  N1a N    44.4500  -12.9500
            47  O2b O    55.3000  -16.8700
            48  P1b P    56.7000  -16.8700
            49  O1c O    56.7000  -15.4700
            50  O1c O    58.1000  -16.8700
            51  O2c O    56.7000  -20.0900
            52  C1b C    37.1000  -22.4700
            53  C1c C    35.9100  -23.1700
            54  C1b C    34.7200  -22.4700
            55  C1a C    35.9100  -24.5700
            56  C1b C    33.5300  -23.1700
            57  C1b C    32.3400  -22.4700
            58  C1c C    31.1500  -23.1700
            59  C1b C    29.9600  -22.4700
            60  C1a C    31.1500  -24.5000
            61  C1b C    28.7700  -23.1700
            62  C1b C    27.5800  -22.4700
            63  C1c C    26.3900  -23.1700
            64  C1a C    25.2000  -22.4700
            65  C1a C    26.3900  -24.5000
BOND        67
            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   53  55 1
            58   54  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   58  60 1
            63   59  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   63  65 1

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