KEGG   COMPOUND: C00630Help
Entry
C00630                      Compound                               

Name
2-Methylpropanoyl-CoA;
2-Methylpropionyl-CoA;
Isobutyryl-CoA
Formula
C25H42N7O17P3S
Exact mass
837.1571
Mol weight
837.624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Phenylalanine metabolism
Biosynthesis of 12-, 14- and 16-membered macrolides
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibiotics
Module
M00350  
Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
M00777  
Avermectin biosynthesis, 2-methylbutanoyl-CoA/isobutyryl-CoA => 6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1a/1b aglycone => avermectin A1a/B1a/A1b/B1b
Enzyme
1.2.1.25        1.2.7.7         1.3.8.1         1.3.8.7         
1.3.99.12       1.3.99.-        2.3.1.168       5.4.99.13
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   C1c C    29.0724  -34.0200
            2   C5a C    30.2849  -33.3200
            3   S2a S    31.4973  -34.0200
            4   C1b C    32.7097  -33.3200
            5   C1b C    33.9222  -34.0200
            6   N1b N    35.1346  -33.3200
            7   C5a C    36.3470  -34.0200
            8   C1b C    37.5595  -33.3200
            9   C1b C    38.7719  -34.0200
            10  N1b N    39.9844  -33.3200
            11  C5a C    41.1968  -34.0200
            12  C1c C    42.4092  -33.3200
            13  C1d C    43.6217  -34.0200
            14  C1b C    44.8341  -33.3200
            15  O2b O    46.0465  -34.0200
            16  O5a O    30.2849  -31.9202
            17  O5a O    36.3470  -35.4199
            18  O5a O    41.1968  -35.4196
            19  O1a O    42.4092  -31.9200
            20  C1a C    43.6217  -32.6200
            21  C1a C    43.6217  -35.4200
            22  P1b P    47.4465  -34.0200
            23  O1c O    48.8465  -34.0200
            24  O1c O    47.4465  -35.4200
            25  C1y C    40.9500  -29.0500
            26  C1y C    42.3500  -29.0500
            27  C1y C    42.7826  -27.7185
            28  O2x O    41.6500  -26.8956
            29  C1y C    40.5174  -27.7185
            30  C1b C    44.1022  -27.2897
            31  O1a O    40.1271  -30.1826
            32  O2b O    43.1729  -30.1826
            33  P1b P    44.5729  -30.1826
            34  O1c O    44.5729  -28.7826
            35  O1c O    45.9729  -30.1826
            36  O1c O    44.5729  -31.5826
            37  C8y C    36.4000  -25.9000
            38  C8y C    36.4000  -27.3000
            39  N4y N    38.8249  -27.3000
            40  C8x C    38.8249  -25.9000
            41  N5x N    37.6124  -25.2000
            42  C8y C    35.1876  -25.2000
            43  N5x N    33.9751  -25.9000
            44  C8x C    33.9751  -27.3000
            45  N5x N    35.1876  -28.0000
            46  N1a N    35.1876  -23.8002
            47  O2b O    46.0845  -27.7220
            48  P1b P    47.4845  -27.7220
            49  O1c O    47.4845  -26.3220
            50  O1c O    48.8845  -27.7220
            51  O2c O    47.4845  -30.9420
            52  C1a C    27.8433  -33.3102
            53  C1a C    29.0723  -35.4198
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 1
            55    1  53 1

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