KEGG   RPAIR: RP02179Help
Entry
RP02179                     RPair                                  

Name
C00487_C01181
Compound
C00487  
Carnitine
C01181  
4-Trimethylammoniobutanoate
Type
main
RDM
1
1     C1c-C1b:O1a-*:C1b+C1b-C1b+C1b
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       10
            1     1:C1b   2:C1b #M1
            2     2:N1d   1:N1d
            3     3:C1c   6:C1b #R1
            4     4:C1a   4:C1a
            5     5:C1a   5:C1a
            6     6:C1a   3:C1a
            7     7:C1b   7:C1b #M1
            8     9:C6a   8:C6a
            9    10:O6a   9:O6a
            10   11:O6a  10:O6a
            -     8:O1a     *   #D1
ENTRY1      
 COMPOUND  C00487
 ATOM      11
            1   C1b C     0.5379    0.5379
            2   N1d N     1.2276    0.0793 #+
            3   C1c C    -0.1966    0.1690
            4   C1a C     1.1759   -0.7414
            5   C1a C     1.9655    0.4483
            6   C1a C     2.0069   -0.1828
            7   C1b C    -0.9241    0.5414
            8   O1a O    -0.2034   -0.7276
            9   C6a C    -1.6069    0.0931
            10  O6a O    -2.3655    0.4621
            11  O6a O    -1.6138   -0.6793
 BOND      10
            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     3   8 1 #Either
            8     7   9 1
            9     9  10 1
            10    9  11 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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