KEGG   COMPOUND: C00683Help
Entry
C00683                      Compound                               

Name
(S)-Methylmalonyl-CoA;
(S)-Methylmalonyl-coenzyme A;
(2S)-Methylmalonyl-CoA;
D-Methylmalonyl-CoA
Formula
C25H40N7O19P3S
Exact mass
867.1313
Mol weight
867.6069
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Biosynthesis of 12-, 14- and 16-membered macrolides
Glyoxylate and dicarboxylate metabolism
Propanoate metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Module
M00373  
Ethylmalonyl pathway
M00375  
Hydroxypropionate-hydroxybutylate cycle
M00376  
3-Hydroxypropionate bi-cycle
Enzyme
2.1.3.1         2.3.1.94        3.1.2.17        4.1.1.41        
5.1.99.1        6.4.1.3
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   C1c C    21.5124  -32.4800
            2   C5a C    22.7249  -31.7800
            3   S2a S    23.9373  -32.4800
            4   C1b C    25.1497  -31.7800
            5   C1b C    26.3622  -32.4800
            6   N1b N    27.5746  -31.7800
            7   C5a C    28.7870  -32.4800
            8   C1b C    29.9995  -31.7800
            9   C1b C    31.2119  -32.4800
            10  N1b N    32.4244  -31.7800
            11  C5a C    33.6368  -32.4800
            12  C1c C    34.8492  -31.7800
            13  C1d C    36.0617  -32.4800
            14  C1b C    37.2741  -31.7800
            15  O2b O    38.4865  -32.4800
            16  O5a O    22.7249  -30.3802
            17  O5a O    28.7870  -33.8799
            18  O5a O    33.6368  -33.8796
            19  O1a O    34.8492  -30.3800
            20  C1a C    36.0617  -31.0800
            21  C1a C    36.0617  -33.8800
            22  P1b P    39.8865  -32.4800
            23  O1c O    41.2865  -32.4800
            24  O1c O    39.8865  -33.8800
            25  C1y C    33.3900  -27.5100
            26  C1y C    34.7900  -27.5100
            27  C1y C    35.2226  -26.1785
            28  O2x O    34.0900  -25.3556
            29  C1y C    32.9574  -26.1785
            30  C1b C    36.5422  -25.7497
            31  O1a O    32.5671  -28.6426
            32  O2b O    35.6129  -28.6426
            33  P1b P    37.0129  -28.6426
            34  O1c O    37.0129  -27.2426
            35  O1c O    38.4129  -28.6426
            36  O1c O    37.0129  -30.0426
            37  C8y C    28.8400  -24.3600
            38  C8y C    28.8400  -25.7600
            39  N4y N    31.2649  -25.7600
            40  C8x C    31.2649  -24.3600
            41  N5x N    30.0524  -23.6600
            42  C8y C    27.6276  -23.6600
            43  N5x N    26.4151  -24.3600
            44  C8x C    26.4151  -25.7600
            45  N5x N    27.6276  -26.4600
            46  N1a N    27.6276  -22.2602
            47  O2b O    38.5245  -26.1820
            48  P1b P    39.9245  -26.1820
            49  O1c O    39.9245  -24.7820
            50  O1c O    41.3245  -26.1820
            51  O2c O    39.9245  -29.4020
            52  C6a C    20.2833  -31.7702
            53  O6a O    19.0792  -32.4653
            54  O6a O    20.2835  -30.3801
            55  C1a C    21.5123  -33.8798
BOND        57
            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 2
            57    1  55 1 #Up

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