KEGG   RPAIR: RP02987Help
Entry
RP02987                     RPair                                  

Name
C01198_C04044
Compound
C01198  
3-(2-Hydroxyphenyl)propanoate
C04044  
3-(2,3-Dihydroxyphenyl)propanoate
Type
main
RDM
1
1     C8x-C8y:*-O1a:C8x+C8y-C8x+C8y
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       12
            1     1:C8y   1:C8y
            2     2:C8y   2:C8y #M1
            3     3:C1b   4:C1b
            4     4:C8x   3:C8x
            5     5:C8x   5:C8y #R1
            6     6:O1a   6:O1a
            7     7:C1b   8:C1b
            8     8:C8x   7:C8x
            9     9:C8x   9:C8x #M1
            10   10:C6a  11:C6a
            11   11:O6a  12:O6a
            12   12:O6a  13:O6a
            -       *    10:O1a #D1
ENTRY1      
 COMPOUND  C01198
 ATOM      12
            1   C8y C    -0.3103    0.1103
            2   C8y C    -0.6828    0.7655
            3   C1b C     0.4414    0.1103
            4   C8x C    -0.6862   -0.5483
            5   C8x C    -1.4448    0.7586
            6   O1a O    -0.3103    1.4138
            7   C1b C     0.8138   -0.5414
            8   C8x C    -1.4379   -0.5517
            9   C8x C    -1.8207    0.1000
            10  C6a C     1.5655   -0.5414
            11  O6a O     1.9379   -1.1931
            12  O6a O     1.9379    0.1103
 BOND      12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     7  10 1
            10   10  11 1
            11   10  12 2
            12    8   9 1
ENTRY2      
 COMPOUND  C04044
 ATOM      13
            1   C8y C    17.8468  -14.7491
            2   C8y C    16.6431  -15.4442
            3   C8x C    17.8468  -13.3460
            4   C1b C    19.0633  -15.4508
            5   C8y C    15.4266  -14.7491
            6   O1a O    16.6431  -16.9810
            7   C8x C    16.6367  -12.6380
            8   C1b C    20.2734  -14.7491
            9   C8x C    15.4266  -13.3523
            10  O1a O    14.2165  -15.4571
            11  C6a C    21.4835  -15.4508
            12  O6a O    21.4835  -16.9874
            13  O6a O    22.7000  -14.7491
 BOND      13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    8  11 1
            11   11  12 1
            12   11  13 2
            13    7   9 1

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