All rules > rule id: 802104

Reaction SMARTS

[#6+0:1]1(-[#6+0:2](=[#7+:11](-[#6+0:6](-[#6+0:3](-[#8-:4])=[#8+0:5])(-[#6+0:7](-[#1,#6;+0:8])(-[#1,#6;+0:9])-[#1,#6;+0:10])-[#1+0:27])-[#1+0:12])-[#1+0:13])=[#6+0:14](-[#6+0:15](=[#7+:20](-[#6+0:19](=[#6+0:17]-1-[#8+0:18])-[#6,#1;+0:26])-[#1+0:21])-[#1+0:22])-[#6+0:16](-[#8+0:23])(-[#1,#6;+0:24])-[#1,#6;+0:25].[#7+0:28](-[#1+0:29])(-[#1+0:30])-[#6+0:31](-[#6,#1;+0:32])(-[#1,#6;+0:33])-[#1,#6;+0:34]>>[#6+0:1]1(=[#6+0:2](-[#7+:11](=[#6+0:6](-[#6+0:3](-[#8-:4])=[#8+0:5])-[#6+0:7](-[#1,#6;+0:8])(-[#1,#6;+0:9])-[#1,#6;+0:10])-[#1+0:12])-[#1+0:13])-[#6+0:14](=[#6+0:15](-[#7+0:20](-[#6+0:19](=[#6+0:17]-1-[#8+0:18])-[#6,#1;+0:26])-[#1+0:21])-[#1+0:22])-[#6+0:16](-[#8+0:23])(-[#1,#6;+0:24])-[#1,#6;+0:25].[#1+0:27]-[#7+:28](-[#1+0:29])(-[#1+0:30])-[#6+0:31](-[#6,#1;+0:32])(-[#1,#6;+0:33])-[#1,#6;+0:34]

Simplified SMARTS

C1(C(=[N+](C(C([O-])=O)(C(*)(*)*)[H])[H])[H])=C(C(O)(*)*)C([H])=[N+]([H])C(*)=C1O.N([H])([H])C(*)(*)*>>C1(=C([N+](=C(C([O-])=O)C(*)(*)*)[H])[H])C(C(O)(*)*)=C([H])N([H])C(*)=C1O.[H][N+]([H])([H])C(*)(*)*

Rule Set Version: 0.2

Complete rule seen in 6 catalytic steps

m-csa:66 - D-alanine transaminase - mechanism: 1 - step: 10
m-csa:66 - D-alanine transaminase - mechanism: 1 - step: 3
m-csa:742 - kynureninase - mechanism: 1 - step: 9
m-csa:742 - kynureninase - mechanism: 1 - step: 3
m-csa:933 - tyrosine phenol-lyase - mechanism: 1 - step: 3

Rule partially seen in 19 catalytic steps