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
Module
M00036  
Leucine degradation, leucine => acetoacetate + acetyl-CoA
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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