KEGG   COMPOUND: C01122
Entry
C01122                      Compound                               

Name
cis-2,3-Dehydroacyl-CoA
Formula
C24H37N7O17P3SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
1.3.1.37        4.2.1.17
Other DBs
PubChem: 4353
ChEBI: 27803
KCF data

ATOM        53
            1   C2b C    29.5624  -36.1200
            2   C5a C    30.7749  -35.4200
            3   S2a S    31.9873  -36.1200
            4   C1b C    33.1997  -35.4200
            5   C1b C    34.4122  -36.1200
            6   N1b N    35.6246  -35.4200
            7   C5a C    36.8370  -36.1200
            8   C1b C    38.0495  -35.4200
            9   C1b C    39.2619  -36.1200
            10  N1b N    40.4744  -35.4200
            11  C5a C    41.6868  -36.1200
            12  C1c C    42.8992  -35.4200
            13  C1d C    44.1117  -36.1200
            14  C1b C    45.3241  -35.4200
            15  O2b O    46.5365  -36.1200
            16  O5a O    30.7749  -34.0202
            17  O5a O    36.8370  -37.5199
            18  O5a O    41.6868  -37.5196
            19  O1a O    42.8992  -34.0200
            20  C1a C    44.1117  -34.7200
            21  C1a C    44.1117  -37.5200
            22  P1b P    47.9365  -36.1200
            23  O1c O    49.3365  -36.1200
            24  O1c O    47.9365  -37.5200
            25  C1y C    41.4400  -31.1500
            26  C1y C    42.8400  -31.1500
            27  C1y C    43.2726  -29.8185
            28  O2x O    42.1400  -28.9956
            29  C1y C    41.0074  -29.8185
            30  C1b C    44.5922  -29.3897
            31  O1a O    40.6171  -32.2826
            32  O2b O    43.6629  -32.2826
            33  P1b P    45.0629  -32.2826
            34  O1c O    45.0629  -30.8826
            35  O1c O    46.4629  -32.2826
            36  O1c O    45.0629  -33.6826
            37  C8y C    36.8900  -28.0000
            38  C8y C    36.8900  -29.4000
            39  N4y N    39.3149  -29.4000
            40  C8x C    39.3149  -28.0000
            41  N5x N    38.1024  -27.3000
            42  C8y C    35.6776  -27.3000
            43  N5x N    34.4651  -28.0000
            44  C8x C    34.4651  -29.4000
            45  N5x N    35.6776  -30.1000
            46  N1a N    35.6776  -25.9002
            47  O2b O    46.5745  -29.8220
            48  P1b P    47.9745  -29.8220
            49  O1c O    47.9745  -28.4220
            50  O1c O    49.3745  -29.8220
            51  O2c O    47.9745  -33.0420
            52  C2b C    28.1624  -36.1200
            53  R   R    26.9500  -35.4200
BOND        55
            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 2
            55   52  53 1

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