KEGG   COMPOUND: C02944Help
Entry
C02944                      Compound                               

Name
3-cis-Dodecenoyl-CoA;
3-cis-Dodecenoyl coenzyme A;
(3Z)-Dodecenoyl-CoA;
(3Z)-Dodec-3-enoyl-CoA
Formula
C33H56N7O17P3S
Exact mass
947.2666
Mol weight
947.8207
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C02944  (3Z)-Dodecenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        61
            1   C1b C    35.1400  -36.1200
            2   C5a C    36.4000  -35.4200
            3   S2a S    37.5900  -36.1200
            4   C1b C    38.7800  -35.4200
            5   C1b C    40.0400  -36.1200
            6   N1b N    41.2300  -35.4200
            7   C5a C    42.4200  -36.1200
            8   C1b C    43.6800  -35.4200
            9   C1b C    44.8700  -36.1200
            10  N1b N    46.0600  -35.4200
            11  C5a C    47.3200  -36.1200
            12  C1c C    48.5100  -35.4200
            13  C1d C    49.7000  -36.1200
            14  C1b C    50.8900  -35.4200
            15  O2b O    52.1500  -36.1200
            16  O5a O    36.4000  -34.0200
            17  O5a O    42.4200  -37.5200
            18  O5a O    47.3200  -37.5200
            19  O1a O    48.5100  -34.0200
            20  C1a C    49.7000  -34.7200
            21  C1a C    49.7000  -37.5200
            22  P1b P    53.5500  -36.1200
            23  O1c O    54.9500  -36.1200
            24  O1c O    53.5500  -37.5200
            25  C1y C    47.0400  -31.1500
            26  C1y C    48.4400  -31.1500
            27  C1y C    48.8600  -29.8200
            28  O2x O    47.7400  -28.9800
            29  C1y C    46.6200  -29.8200
            30  C1b C    50.1900  -29.4000
            31  O1a O    46.2000  -32.2700
            32  O2b O    49.2800  -32.2700
            33  P1b P    50.6800  -32.2700
            34  O1c O    50.6800  -30.8700
            35  O1c O    52.0800  -32.2700
            36  O1c O    50.6800  -33.6700
            37  C8y C    42.4900  -28.0000
            38  C8y C    42.4900  -29.4000
            39  N4y N    44.9400  -29.4000
            40  C8x C    44.9400  -28.0000
            41  N5x N    43.6800  -27.3000
            42  C8y C    41.3000  -27.3000
            43  N5x N    40.0400  -28.0000
            44  C8x C    40.0400  -29.4000
            45  N5x N    41.3000  -30.1000
            46  N1a N    41.3000  -25.9000
            47  O2b O    52.1500  -29.8200
            48  P1b P    53.5500  -29.8200
            49  O1c O    53.5500  -28.4200
            50  O1c O    54.9500  -29.8200
            51  O2c O    53.5500  -33.0400
            52  C2b C    33.9500  -35.4200
            53  C2b C    32.5500  -35.4200
            54  C1b C    31.3600  -36.1200
            55  C1b C    30.1700  -35.4200
            56  C1b C    28.9100  -36.1200
            57  C1b C    27.7200  -35.4200
            58  C1b C    26.5300  -36.1200
            59  C1b C    25.3400  -35.4200
            60  C1b C    24.0800  -36.1200
            61  C1a C    22.8900  -35.4200
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   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 2
            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

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