KEGG   RPAIR: RP14749Help
Entry
RP14749                     RPair                                  

Name
C19574_C19580
Compound
C19574  
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
C19580  
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
Type
main
RDM
1
1     C1a-C1b:*-O1a:N1c-N1c
RClass
Related pair
Reaction
Enzyme
1.14.13.-    1.14.14.1
KCF data Show

ALIGN       15
            1     1:N5x   1:N5x
            2     2:C8x   2:C8x
            3     3:C8x   3:C8x
            4     4:C8x   4:C8x
            5     5:C8y   5:C8y
            6     6:C8x   6:C8x
            7     7:C1c   7:C1c
            8     8:C1b   8:C1b
            9     9:C1b   9:C1b
            10   10:C1b  10:C1b
            11   11:N1c  11:N1c #M1
            12   12:C1a  12:C1b #R1
            13   13:O1a  13:O1a
            14   14:N2b  14:N2b
            15   15:O3a  15:O3a
            -       *    16:O1a #D1
ENTRY1      
 COMPOUND  C19574
 ATOM      15
            1   N5x N    18.0419  -19.7673
            2   C8x C    18.0419  -21.1643
            3   C8x C    19.2517  -21.8628
            4   C8x C    20.4616  -21.1643
            5   C8y C    20.4616  -19.7673
            6   C8x C    19.2517  -19.0688
            7   C1c C    21.6964  -19.0688
            8   C1b C    22.9063  -19.7673
            9   C1b C    24.1161  -19.0688
            10  C1b C    25.3258  -19.7673
            11  N1c N    26.5357  -19.0688
            12  C1a C    27.7455  -19.7673
            13  O1a O    21.7026  -17.6721
            14  N2b N    26.5357  -17.6721
            15  O3a O    27.7663  -16.9613
 BOND      15
            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   10  11 1
            12   11  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 2
ENTRY2      
 COMPOUND  C19580
 ATOM      16
            1   N5x N    18.0417  -19.7671
            2   C8x C    18.0417  -21.1641
            3   C8x C    19.2515  -21.8626
            4   C8x C    20.4614  -21.1641
            5   C8y C    20.4614  -19.7671
            6   C8x C    19.2515  -19.0686
            7   C1c C    21.6962  -19.0686
            8   C1b C    22.9061  -19.7671
            9   C1b C    24.1159  -19.0686
            10  C1b C    25.3256  -19.7671
            11  N1c N    26.5355  -19.0686
            12  C1b C    27.7453  -19.7671
            13  O1a O    21.7024  -17.6719
            14  N2b N    26.5355  -17.6719
            15  O3a O    27.7661  -16.9612
            16  O1a O    28.9500  -19.0713
 BOND      16
            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   10  11 1
            12   11  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 2
            16   12  16 1

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