KEGG   RPAIR: RP02912Help
Entry
RP02912                     RPair                                  

Name
C01149_C01181
Compound
C01149  
4-Trimethylammoniobutanal
C01181  
4-Trimethylammoniobutanoate
Type
main
RDM
1
1     C4a-C6a:*-O6a:C1b+O4a-C1b+O6a
RClass
Related pair
Reaction
Enzyme
1.2.1.3      1.2.1.47
KCF data Show

ALIGN       9
            1     1:C1b   2:C1b
            2     2:N1d   1:N1d
            3     3:C1b   6:C1b
            4     4:C1a   4:C1a
            5     5:C1a   5:C1a
            6     6:C1a   3:C1a
            7     7:C1b   7:C1b #M1
            8     8:C4a   8:C6a #R1
            9     9:O4a  10:O6a #M1
            -       *     9:O6a #D1
ENTRY1      
 COMPOUND  C01149
 ATOM      9
            1   C1b C    -0.0310    0.5379
            2   N1d N    -1.0000   -0.0276 #+
            3   C1b C     0.5103    0.1172
            4   C1a C    -1.6207   -0.3724
            5   C1a C    -0.6621   -0.9103
            6   C1a C    -1.7966    0.6586
            7   C1b C     1.1276    0.4690
            8   C4a C     1.7414    0.1172
            9   O4a O     1.7345   -0.5862
 BOND      8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 2
ENTRY2      
 COMPOUND  C01181
 ATOM      10
            1   N1d N    -1.0621   -0.0552 #+
            2   C1b C    -0.4103   -0.4310
            3   C1a C    -1.9517   -0.4310
            4   C1a C    -1.0690    0.8655
            5   C1a C    -1.9828    0.3241
            6   C1b C     0.2448   -0.0552
            7   C1b C     0.9034   -0.4310
            8   C6a C     1.5552   -0.0552
            9   O6a O     2.2172   -0.4310
            10  O6a O     1.5552    0.7034
 BOND      9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

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