KEGG   RPAIR: RP14849Help
Entry
RP14849                     RPair                                  

Name
C00001_C19582
Compound
C00001  
H2O
C19582  
1-(3-Pyridinyl)-1,4-butanediol
Type
leave
RDM
1
1     O0-O1a:*-C1b:*-*
Related pair
Reaction
KCF data Show

ALIGN       1
            1     1:O0   12:O1a #R1
            -       *    10:C1b #D1
ENTRY1      
 COMPOUND  C00001
 ATOM      1
            1   O0  O    22.1250  -16.2017
 BOND      0
ENTRY2      
 COMPOUND  C19582
 ATOM      12
            1   N5x N    18.6193  -19.3685
            2   C8x C    18.6193  -20.7670
            3   C8x C    19.8304  -21.4663
            4   C8x C    21.0416  -20.7670
            5   C8y C    21.0416  -19.3685
            6   C8x C    19.8304  -18.6694
            7   C1c C    22.2777  -18.6694
            8   C1b C    23.4889  -19.3685
            9   C1b C    24.6998  -18.6694
            10  C1b C    25.9109  -19.3685
            11  O1a O    22.2839  -17.2712
            12  O1a O    27.1418  -18.6575
 BOND      12
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    7  11 1
            12   10  12 1

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