KEGG   RPAIR: RP00240Help
Entry
RP00240                     RPair                                  

Name
C00637_C00954
Compound
C00637  
Indole-3-acetaldehyde
C00954  
Indole-3-acetate
Type
main
RDM
1
1     C4a-C6a:*-O6a:C1b+O4a-C1b+O6a
RClass
Related pair
Reaction
Enzyme
1.2.1.3      1.2.3.7
KCF data Show

ALIGN       12
            1     1:C8x   1:C8x
            2     2:C8x   2:C8x
            3     3:C8x   3:C8x
            4     4:C8y   4:C8y
            5     5:C8y   5:C8y
            6     6:C8x   6:C8x
            7     7:N4x   7:N4x
            8     8:C8x   8:C8x
            9     9:C8y   9:C8y
            10   10:C1b  10:C1b #M1
            11   11:C4a  11:C6a #R1
            12   12:O4a  12:O6a #M1
            -       *    13:O6a #D1
ENTRY1      
 COMPOUND  C00637
 ATOM      12
            1   C8x C    21.5600  -16.4500
            2   C8x C    21.5600  -17.8500
            3   C8x C    22.7724  -18.5500
            4   C8y C    23.9849  -17.8500
            5   C8y C    23.9849  -16.4500
            6   C8x C    22.7724  -15.7500
            7   N4x N    25.3164  -18.2826
            8   C8x C    26.1393  -17.1500
            9   C8y C    25.3164  -16.0174
            10  C1b C    25.7475  -14.6906
            11  C4a C    27.1269  -14.3974
            12  O4a O    28.0895  -15.4669
 BOND      13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2
ENTRY2      
 COMPOUND  C00954
 ATOM      13
            1   C8x C    17.2200  -18.5500
            2   C8x C    17.2200  -19.9500
            3   C8x C    18.4324  -20.6500
            4   C8y C    19.6449  -19.9500
            5   C8y C    19.6449  -18.5500
            6   C8x C    18.4324  -17.8500
            7   N4x N    20.9764  -20.3826
            8   C8x C    21.7993  -19.2500
            9   C8y C    20.9764  -18.1174
            10  C1b C    21.4076  -16.7906
            11  C6a C    22.7869  -16.4974
            12  O6a O    23.7495  -17.5669
            13  O6a O    23.2163  -15.1773
 BOND      14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 1

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