All rules > rule id: 802169

Reaction SMARTS

[#16+0:1](-[#6+0:2](-[#8+0:3]-[#6+0:4](-[#6,#1;+0:5])(-[#1,#6;+0:6])-[#1,#6;+0:7])(-[#8-:8])-[#6+0:9](-[#1,#6;+0:10])(-[#1,#6;+0:11])-[#1,#6;+0:12])-[#6+0:13].[#1+0:14]-[#7+:15]1-[#6+0:16](-[#6,#1;+0:17])=[#6+0:18]-[#7+0:21]-[#6+0:19]=1-[#1,#6;+0:20]>>[#16+0:1](-[#6+0:2](=[#8+0:8])-[#6+0:9](-[#1,#6;+0:10])(-[#1,#6;+0:11])-[#1,#6;+0:12])-[#6+0:13].[#8+0:3](-[#6+0:4](-[#6,#1;+0:5])(-[#1,#6;+0:6])-[#1,#6;+0:7])-[#1+0:14].[#7+0:15]1-[#6+0:16](-[#6,#1;+0:17])=[#6+0:18]-[#7+0:21]-[#6+0:19]=1-[#1,#6;+0:20]

Simplified SMARTS

S(C(OC(*)(*)*)([O-])C(*)(*)*)C.[H][N+]1=C(*)NC=C1*>>S(C(=O)C(*)(*)*)C.O(C(*)(*)*)[H].N1=C(*)NC=C1*

Rule Set Version: 0.2
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Complete rule seen in 9 catalytic steps

m-csa:69 - acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase - mechanism: 1 - step: 1
m-csa:291 - malonyl-CoA-acyl carrier protein transacylase - mechanism: 1 - step: 1
m-csa:291 - malonyl-CoA-acyl carrier protein transacylase - mechanism: 1 - step: 5
m-csa:523 - palmitoyl[protein] hydrolase (type 2) - mechanism: 1 - step: 1
m-csa:602 - 6-deoxyerythronolide-B synthase - mechanism: 1 - step: 1
m-csa:728 - myristoyl-ACP-specific thioesterase - mechanism: 1 - step: 4
m-csa:728 - myristoyl-ACP-specific thioesterase - mechanism: 1 - step: 1
m-csa:985 - acyl-carrier-protein S-acetyltransferase - mechanism: 1 - step: 1
m-csa:985 - acyl-carrier-protein S-acetyltransferase - mechanism: 1 - step: 4

Rule partially seen in 4 catalytic steps

m-csa:69 - acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase - mechanism: 1 - step: 2
m-csa:523 - palmitoyl[protein] hydrolase (type 2) - mechanism: 1 - step: 2
m-csa:728 - myristoyl-ACP-specific thioesterase - mechanism: 1 - step: 2
m-csa:985 - acyl-carrier-protein S-acetyltransferase - mechanism: 1 - step: 2