KEGG   COMPOUND: C21947
Entry
C21947                      Compound                               

Name
Paullinoyl-CoA;
(13Z)-Icosenoyl-CoA;
(13Z)-Eicosenoyl-CoA
Formula
C41H72N7O17P3S
Exact mass
1059.3918
Mol weight
1060.0334
Structure
Pathway
map01040  Biosynthesis of unsaturated fatty acids
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21947  (13Z)-Icosenoyl-CoA
Other DBs
PubChem: 376218980
LinkDB
KCF data

ATOM        69
            1   C1b C    24.6400  -20.5800
            2   C5a C    25.9000  -19.8800
            3   S2a S    27.0900  -20.5800
            4   C1b C    28.2800  -19.8800
            5   C1b C    29.5400  -20.5800
            6   N1b N    30.7300  -19.8800
            7   C5a C    31.9200  -20.5800
            8   C1b C    33.1800  -19.8800
            9   C1b C    34.3700  -20.5800
            10  N1b N    35.5600  -19.8800
            11  C5a C    36.8200  -20.5800
            12  C1c C    38.0100  -19.8800
            13  C1d C    39.2000  -20.5800
            14  C1b C    40.3900  -19.8800
            15  O2b O    41.6500  -20.5800
            16  O5a O    25.9000  -18.4800
            17  O5a O    31.9200  -21.9800
            18  O5a O    36.8200  -21.9800
            19  O1a O    38.0100  -18.4800
            20  C1a C    39.2000  -19.1800
            21  C1a C    39.2000  -21.9800
            22  P1b P    43.0500  -20.5800
            23  O1c O    44.4500  -20.5800
            24  O1c O    43.0500  -21.9800
            25  C1y C    36.5400  -15.6100
            26  C1y C    37.9400  -15.6100
            27  C1y C    38.3600  -14.2800
            28  O2x O    37.2400  -13.4400
            29  C1y C    36.1200  -14.2800
            30  C1b C    39.6900  -13.8600
            31  O1a O    35.7000  -16.7300
            32  O2b O    38.7800  -16.7300
            33  P1b P    40.1800  -16.7300
            34  O1c O    40.1800  -15.3300
            35  O1c O    41.5800  -16.7300
            36  O1c O    40.1800  -18.1300
            37  C8y C    31.9900  -12.4600
            38  C8y C    31.9900  -13.8600
            39  N4y N    34.4400  -13.8600
            40  C8x C    34.4400  -12.4600
            41  N5x N    33.1800  -11.7600
            42  C8y C    30.8000  -11.7600
            43  N5x N    29.5400  -12.4600
            44  C8x C    29.5400  -13.8600
            45  N5x N    30.8000  -14.5600
            46  N1a N    30.8000  -10.3600
            47  O2b O    41.6500  -14.2800
            48  P1b P    43.0500  -14.2800
            49  O1c O    43.0500  -12.8800
            50  O1c O    44.4500  -14.2800
            51  O2c O    43.0500  -17.5000
            52  C1b C    23.4500  -19.8800
            53  C1b C    22.2600  -20.5800
            54  C1b C    21.0000  -19.8800
            55  C1b C    19.8100  -20.5800
            56  C1b C    18.5500  -19.8800
            57  C1b C    17.3600  -20.5800
            58  C1b C    16.1700  -19.8800
            59  C1b C    14.9100  -20.5800
            60  C1b C    13.6500  -19.8800
            61  C1b C    12.4600  -20.5800
            62  C2b C    11.2700  -19.8800
            63  C2b C     9.5900  -19.8800
            64  C1b C     8.4000  -20.5800
            65  C1b C     7.2100  -19.8800
            66  C1b C     6.0200  -20.5800
            67  C1b C     4.8300  -19.8800
            68  C1b C     3.6400  -20.5800
            69  C1a C     2.4500  -19.8800
BOND        71
            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 1
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

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