KEGG   COMPOUND: C02939Help
Entry
C02939                      Compound                               

Name
3-Methylbutanoyl-CoA;
Isovaleryl-CoA
Formula
C26H44N7O17P3S
Exact mass
851.1727
Mol weight
851.6505
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Metabolic pathways
Enzyme
1.2.1.25        1.2.7.7         1.3.8.4         1.3.8.7         
2.3.1.156       2.3.1.168       2.3.1.228
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        54
            1   C1b C    29.8424  -35.7700
            2   C5a C    31.0549  -35.0700
            3   S2a S    32.2673  -35.7700
            4   C1b C    33.4797  -35.0700
            5   C1b C    34.6922  -35.7700
            6   N1b N    35.9046  -35.0700
            7   C5a C    37.1170  -35.7700
            8   C1b C    38.3295  -35.0700
            9   C1b C    39.5419  -35.7700
            10  N1b N    40.7544  -35.0700
            11  C5a C    41.9668  -35.7700
            12  C1c C    43.1792  -35.0700
            13  C1d C    44.3917  -35.7700
            14  C1b C    45.6041  -35.0700
            15  O2b O    46.8165  -35.7700
            16  O5a O    31.0549  -33.6702
            17  O5a O    37.1170  -37.1699
            18  O5a O    41.9668  -37.1696
            19  O1a O    43.1792  -33.6700
            20  C1a C    44.3917  -34.3700
            21  C1a C    44.3917  -37.1700
            22  P1b P    48.2165  -35.7700
            23  O1c O    49.6165  -35.7700
            24  O1c O    48.2165  -37.1700
            25  C1y C    41.7200  -30.8000
            26  C1y C    43.1200  -30.8000
            27  C1y C    43.5526  -29.4685
            28  O2x O    42.4200  -28.6456
            29  C1y C    41.2874  -29.4685
            30  C1b C    44.8722  -29.0397
            31  O1a O    40.8971  -31.9326
            32  O2b O    43.9429  -31.9326
            33  P1b P    45.3429  -31.9326
            34  O1c O    45.3429  -30.5326
            35  O1c O    46.7429  -31.9326
            36  O1c O    45.3429  -33.3326
            37  C8y C    37.1700  -27.6500
            38  C8y C    37.1700  -29.0500
            39  N4y N    39.5949  -29.0500
            40  C8x C    39.5949  -27.6500
            41  N5x N    38.3824  -26.9500
            42  C8y C    35.9576  -26.9500
            43  N5x N    34.7451  -27.6500
            44  C8x C    34.7451  -29.0500
            45  N5x N    35.9576  -29.7500
            46  N1a N    35.9576  -25.5502
            47  O2b O    46.8545  -29.4720
            48  P1b P    48.2545  -29.4720
            49  O1c O    48.2545  -28.0720
            50  O1c O    49.6545  -29.4720
            51  O2c O    48.2545  -32.6920
            52  C1c C    28.6133  -35.0602
            53  C1a C    27.4092  -35.7553
            54  C1a C    28.6135  -33.6701
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 1
            55   52  53 1
            56   52  54 1

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