KEGG   RPAIR: RP06900Help
Entry
RP06900                     RPair                                  

Name
C00141_C00671
Compound
C00141  
3-Methyl-2-oxobutanoic acid
C00671  
(S)-3-Methyl-2-oxopentanoic acid
Type
trans
RDM
1
1     O5a-O5a:C5a+*-*+C5a:*-*
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       1
            1     4:O5a   4:O5a #R1
            -     1:C5a     *   #D1
            -       *     1:C5a #D1
ENTRY1      
 COMPOUND  C00141
 ATOM      8
            1   C5a C    22.1200  -16.5574
            2   C1c C    20.9110  -15.8564
            3   C6a C    23.3290  -15.8564
            4   O5a O    22.1200  -18.2327
            5   C1a C    19.6957  -16.5574
            6   C1a C    20.9110  -14.4546
            7   O6a O    24.5443  -16.5574
            8   O6a O    23.3290  -14.4546
 BOND      7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
ENTRY2      
 COMPOUND  C00671
 ATOM      9
            1   C5a C    21.5504   -9.2952
            2   C1c C    20.3315   -8.5895
            3   C6a C    22.7628   -8.5895
            4   O5a O    21.5439  -10.6936
            5   C1b C    19.1126   -9.2952
            6   C1a C    20.3252   -7.1974
            7   O6a O    23.9688   -9.2952
            8   O6a O    22.7564   -7.1846
            9   C1a C    17.9068   -8.6087
 BOND      8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 2
            8     5   9 1

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