KEGG   RPAIR: RP05672Help
Entry
RP05672                     RPair                                  

Name
C00162_C12145
Compound
C00162  
Fatty acid
C12145  
Phytoceramide
Type
main
RDM
1
1     C6a-C5a:O6a+*-*+N1b:O6a+R-O5a+R
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       3
            1     1:C6a  23:C5a #R1
            2     3:O6a  25:O5a #M1
            3     4:R    24:R   #M1
            -     2:O6a     *   #D1
            -       *     3:N1b #D1
ENTRY1      
 COMPOUND  C00162
 ATOM      4
            1   C6a C     0.0000    0.0000
            2   O6a O     0.7138   -0.4103
            3   O6a O     0.0000    0.8276
            4   R   R    -0.7103   -0.4172
 BOND      3
            1     1   2 1
            2     1   3 2
            3     1   4 1
ENTRY2      
 COMPOUND  C12145
 ATOM      25
            1   C1c C     0.0384  -12.5206
            2   C1c C     0.7655  -12.9241
            3   N1b N     0.0315  -11.6927
            4   C1b C    -0.6750  -12.9414
            5   C1c C     1.4781  -12.5068
            6   O1a O     0.7724  -13.7555
            7   O1a O    -1.3911  -12.5344
            8   C1b C     2.1984  -12.9103
            9   C1b C     2.9152  -12.4930
            10  C1b C     3.6389  -12.8966
            11  C1b C     4.3516  -12.4792
            12  C1b C     5.0719  -12.8828
            13  C1b C     5.7921  -12.4654
            14  C1b C     6.5082  -12.8648
            15  C1b C     7.2250  -12.4440
            16  C1b C     7.9487  -12.8510
            17  C1b C     8.6655  -12.4302
            18  C1b C     9.3850  -12.8372
            19  C1b C    10.0984  -12.4164
            20  C1b C    10.8255  -12.8234
            21  C1a C    11.5348  -12.4026
            22  O1a O     1.4702  -11.6818
            23  C5a C     0.0250  -10.8667
            24  R   R     0.7362  -10.4486
            25  O5a O    -0.6927  -10.4598
 BOND      24
            1     2   5 1
            2     2   6 1 #Up
            3     4   7 1
            4     5   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13   16  17 1
            14   17  18 1
            15   18  19 1
            16   19  20 1
            17   20  21 1
            18    5  22 1 #Down
            19    1   2 1
            20    3  23 1
            21    1   3 1 #Down
            22   23  24 1
            23    1   4 1
            24   23  25 2

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