KEGG   RPAIR: RP02694Help
Entry
RP02694                     RPair                                  

Name
C00870_C02235
Compound
C00870  
4-Nitrophenol
C02235  
4-Nitrocatechol
Type
main
RDM
1
1     C8x-C8y:*-O1a:C8x+C8y-C8x+C8y
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       10
            1     1:C8y   1:C8y
            2     2:N2b   4:N2b
            3     3:C8x   2:C8x #M1
            4     4:C8x   3:C8x
            5     5:O3a   8:O3a
            6     6:O3a   7:O3a
            7     7:C8x   5:C8y #R1
            8     8:C8x   6:C8x
            9     9:C8y   9:C8y #M1
            10   10:O1a  11:O1a
            -       *    10:O1a #D1
ENTRY1      
 COMPOUND  C00870
 ATOM      10
            1   C8y C     0.0000   -0.3828
            2   N2b N    -0.0034   -1.1310 #+
            3   C8x C    -0.6483    0.0000
            4   C8x C     0.6586    0.0000
            5   O3a O     0.6414   -1.5138
            6   O3a O    -0.6517   -1.5103 #-
            7   C8x C    -0.6483    0.7586
            8   C8x C     0.6586    0.7586
            9   C8y C     0.0000    1.1345
            10  O1a O    -0.0034    1.8828
 BOND      10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     9  10 1
            10    8   9 1
ENTRY2      
 COMPOUND  C02235
 ATOM      11
            1   C8y C    -0.1207   -0.4552
            2   C8x C     0.5345   -0.0724
            3   C8x C    -0.7724   -0.0724
            4   N2b N    -0.1241   -1.2069 #+
            5   C8y C     0.5345    0.6862
            6   C8x C    -0.7724    0.6862
            7   O3a O     0.6552   -1.7621
            8   O3a O    -0.8724   -1.7310 #-
            9   C8y C    -0.1207    1.0586
            10  O1a O     1.1828    1.0621
            11  O1a O    -0.1241    1.8103
 BOND      11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    9  11 1
            11    6   9 2

DBGET integrated database retrieval system