KEGG   COMPOUND: C03345Help
Entry
C03345                      Compound                               

Name
2-Methylbut-2-enoyl-CoA;
trans-2-Methylbut-2-enoyl-CoA;
Tiglyl-CoA;
(E)-2-Methylcrotonoyl-CoA;
Methylcrotonoyl-CoA;
Methylcrotonyl-CoA;
Tigloyl-CoA;
2-Methylcrotanoyl-CoA
Formula
C26H42N7O17P3S
Exact mass
849.1571
Mol weight
849.6347
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibiotics
Enzyme
1.3.8.1         1.3.8.5         1.3.8.7         1.3.99.12       
2.3.1.93        4.2.1.17
Other DBs
PubChem: 
ChEBI: 
3DMET: 
KCF data Show

ATOM        54
            1   C2c C    10.1724  -19.0400
            2   C5a C    11.3849  -18.3400
            3   S2a S    12.5973  -19.0400
            4   C1b C    13.8097  -18.3400
            5   C1b C    15.0222  -19.0400
            6   N1b N    16.2346  -18.3400
            7   C5a C    17.4470  -19.0400
            8   C1b C    18.6595  -18.3400
            9   C1b C    19.8719  -19.0400
            10  N1b N    21.0844  -18.3400
            11  C5a C    22.2968  -19.0400
            12  C1c C    23.5092  -18.3400
            13  C1d C    24.7217  -19.0400
            14  C1b C    25.9341  -18.3400
            15  O2b O    27.1465  -19.0400
            16  O5a O    11.3849  -16.9402
            17  O5a O    17.4470  -20.4399
            18  O5a O    22.2968  -20.4396
            19  O1a O    23.5092  -16.9400
            20  C1a C    24.7217  -17.6400
            21  C1a C    24.7217  -20.4400
            22  P1b P    28.5465  -19.0400
            23  O1c O    29.9465  -19.0400
            24  O1c O    28.5465  -20.4400
            25  C1y C    22.0500  -14.0700
            26  C1y C    23.4500  -14.0700
            27  C1y C    23.8826  -12.7385
            28  O2x O    22.7500  -11.9156
            29  C1y C    21.6174  -12.7385
            30  C1b C    25.2022  -12.3097
            31  O1a O    21.2271  -15.2026
            32  O2b O    24.2729  -15.2026
            33  P1b P    25.6729  -15.2026
            34  O1c O    25.6729  -13.8026
            35  O1c O    27.0729  -15.2026
            36  O1c O    25.6729  -16.6026
            37  C8y C    17.5000  -10.9200
            38  C8y C    17.5000  -12.3200
            39  N4y N    19.9249  -12.3200
            40  C8x C    19.9249  -10.9200
            41  N5x N    18.7124  -10.2200
            42  C8y C    16.2876  -10.2200
            43  N5x N    15.0751  -10.9200
            44  C8x C    15.0751  -12.3200
            45  N5x N    16.2876  -13.0200
            46  N1a N    16.2876   -8.8202
            47  O2b O    27.1845  -12.7420
            48  P1b P    28.5845  -12.7420
            49  O1c O    28.5845  -11.3420
            50  O1c O    29.9845  -12.7420
            51  O2c O    28.5845  -15.9620
            52  C2b C     8.9376  -18.3400
            53  C1a C     7.7251  -19.0400
            54  C1a C    10.1779  -20.4397
BOND        56
            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
            56    1  54 1

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