KEGG   COMPOUND: C05280Help
Entry
C05280                      Compound                               

Name
cis,cis-3,6-Dodecadienoyl-CoA
Formula
C33H54N7O17P3S
Exact mass
945.251
Mol weight
945.8048
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid degradation
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        61
            1   S2a S    17.3600  -20.5800
            2   C1b C    18.5500  -19.8800
            3   C1b C    19.8100  -20.5800
            4   N1b N    21.0000  -19.8800
            5   C5a C    22.1900  -20.5800
            6   C1b C    23.4500  -19.8800
            7   C1b C    24.6400  -20.5800
            8   N1b N    25.8300  -19.8800
            9   C5a C    27.0900  -20.5800
            10  C1c C    28.2800  -19.8800
            11  C1d C    29.4700  -20.5800
            12  C1b C    30.6600  -19.8800
            13  O2b O    31.9200  -20.5800
            14  O5a O    22.1900  -21.9800
            15  O5a O    27.0900  -21.9800
            16  O1a O    28.2800  -18.4800
            17  C1a C    29.4700  -19.1800
            18  C1a C    29.4700  -21.9800
            19  P1b P    33.3200  -20.5800
            20  O1c O    34.7200  -20.5800
            21  O1c O    33.3200  -21.9800
            22  C1y C    26.8100  -15.6100
            23  C1y C    28.2100  -15.6100
            24  C1y C    28.6300  -14.2800
            25  O2x O    27.5100  -13.4400
            26  C1y C    26.3900  -14.2800
            27  C1b C    29.9600  -13.8600
            28  O1a O    25.9700  -16.7300
            29  O2b O    29.0500  -16.7300
            30  P1b P    30.4500  -16.7300
            31  O1c O    30.4500  -15.3300
            32  O1c O    31.8500  -16.7300
            33  O1c O    30.4500  -18.1300
            34  C8y C    22.2600  -12.4600
            35  C8y C    22.2600  -13.8600
            36  N4y N    24.7100  -13.8600
            37  C8x C    24.7100  -12.4600
            38  N5x N    23.4500  -11.7600
            39  C8y C    21.0700  -11.7600
            40  N5x N    19.8100  -12.4600
            41  C8x C    19.8100  -13.8600
            42  N5x N    21.0700  -14.5600
            43  N1a N    21.0700  -10.3600
            44  O2b O    31.9200  -14.2800
            45  P1b P    33.3200  -14.2800
            46  O1c O    33.3200  -12.8800
            47  O1c O    34.7200  -14.2800
            48  O2c O    33.3200  -17.5000
            49  C5a C    16.1700  -19.8800
            50  C1b C    14.9100  -20.5800
            51  C2b C    13.7200  -19.8800
            52  O5a O    16.1700  -18.4800
            53  C2b C    12.3200  -19.8800
            54  C1b C    11.1300  -20.5800
            55  C2b C     9.8700  -19.8800
            56  C2b C     8.4700  -19.8800
            57  C1b C     7.2800  -20.5800
            58  C1b C     6.0200  -19.8800
            59  C1b C     4.8300  -20.5800
            60  C1b C     3.6400  -19.8800
            61  C1a C     2.3800  -20.5800
BOND        63
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   50  51 1
            54   49  52 2
            55   51  53 2
            56   53  54 1
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1

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