All rules > rule id: 801835

Reaction SMARTS

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

Simplified SMARTS

C(*)(*)(*)C([H])=O.[H]C1([H])C(*)=C(*)N(C(O)(*)*)C([H])=C1C(=O)N.[H]OC(=O)*>>C(*)(*)(*)C([H])([H])O[H].C([O-])(=O)*.OC(*)([N+]1=C([H])C(C(=O)N)=C([H])C(*)=C1*)*

Rule Set Version: 0.2
→

Complete rule seen in 2 catalytic steps

m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 3 - step: 3
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 1 - step: 3

Rule partially seen in 84 catalytic steps

m-csa:6 - glutathione-disulfide reductase - mechanism: 1 - step: 1
m-csa:7 - isocitrate dehydrogenase (NADP+) - mechanism: 2 - step: 1
m-csa:7 - isocitrate dehydrogenase (NADP+) - mechanism: 3 - step: 2
m-csa:7 - isocitrate dehydrogenase (NADP+) - mechanism: 1 - step: 1
m-csa:21 - malate dehydrogenase (oxaloacetate-decarboxylating) - mechanism: 1 - step: 1
m-csa:59 - 3-dehydroquinate synthase - mechanism: 1 - step: 1
m-csa:67 - alanine dehydrogenase - mechanism: 1 - step: 1
m-csa:90 - adenosylhomocysteinase - mechanism: 1 - step: 5
m-csa:90 - adenosylhomocysteinase - mechanism: 1 - step: 2
m-csa:92 - UDP-glucose 6-dehydrogenase - mechanism: 1 - step: 1
m-csa:92 - UDP-glucose 6-dehydrogenase - mechanism: 2 - step: 3
m-csa:92 - UDP-glucose 6-dehydrogenase - mechanism: 1 - step: 3
m-csa:92 - UDP-glucose 6-dehydrogenase - mechanism: 2 - step: 1
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 1 - step: 1
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 3 - step: 1
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 2 - step: 3
m-csa:93 - hydroxymethylglutaryl-CoA reductase (NADPH) - mechanism: 2 - step: 1
m-csa:99 - methanol dehydrogenase (cytochrome c) - mechanism: 2 - step: 1
m-csa:100 - betaine-aldehyde dehydrogenase - mechanism: 1 - step: 2
m-csa:108 - 2,4-dienoyl-CoA reductase (NADPH) - mechanism: 1 - step: 1
m-csa:116 - NAD(P)+ transhydrogenase (AB-specific) - mechanism: 1 - step: 2
m-csa:120 - methylenetetrahydrofolate reductase [NAD(P)H] - mechanism: 1 - step: 1
m-csa:130 - naphthalene 1,2-dioxygenase - mechanism: 2 - step: 1
m-csa:131 - 4-hydroxybenzoate 3-monooxygenase - mechanism: 1 - step: 2
m-csa:188 - UDP-glucose 4-epimerase - mechanism: 2 - step: 1
m-csa:188 - UDP-glucose 4-epimerase - mechanism: 2 - step: 2
m-csa:188 - UDP-glucose 4-epimerase - mechanism: 1 - step: 1
m-csa:211 - oxygen insensitive NAD(P)H nitroreductase - mechanism: 1 - step: 1
m-csa:211 - oxygen insensitive NAD(P)H nitroreductase - mechanism: 1 - step: 4
m-csa:226 - UDP-sulfoquinovose synthase - mechanism: 1 - step: 1
m-csa:226 - UDP-sulfoquinovose synthase - mechanism: 1 - step: 4
m-csa:227 - GDP-L-fucose synthase - mechanism: 1 - step: 5
m-csa:228 - dTDP-glucose 4,6-dehydratase - mechanism: 2 - step: 4
m-csa:228 - dTDP-glucose 4,6-dehydratase - mechanism: 1 - step: 3
m-csa:228 - dTDP-glucose 4,6-dehydratase - mechanism: 1 - step: 1
m-csa:228 - dTDP-glucose 4,6-dehydratase - mechanism: 2 - step: 1
m-csa:237 - pteridine reductase - mechanism: 1 - step: 3
m-csa:255 - alcohol dehydrogenase (SDR type) - mechanism: 1 - step: 2
m-csa:256 - alcohol dehydrogenase (class I) - mechanism: 1 - step: 1
m-csa:264 - squalene synthase - mechanism: 1 - step: 7
m-csa:277 - mercury(II) reductase - mechanism: 2 - step: 12
m-csa:277 - mercury(II) reductase - mechanism: 1 - step: 12
m-csa:304 - glutamate synthase (NADPH) - mechanism: 1 - step: 1
m-csa:312 - glycerol dehydrogenase - mechanism: 1 - step: 1
m-csa:331 - inositol-3-phosphate synthase - mechanism: 1 - step: 1
m-csa:336 - L-3-hydroxyacyl-CoA dehydrogenase - mechanism: 1 - step: 2
m-csa:526 - malate dehydrogenase (type 2) - mechanism: 1 - step: 1
m-csa:527 - malate dehydrogenase (type 1) - mechanism: 1 - step: 1
m-csa:551 - phenol 2-monooxygenase - mechanism: 1 - step: 1
m-csa:557 - ADP-glyceromanno-heptose 6-epimerase - mechanism: 1 - step: 2
m-csa:557 - ADP-glyceromanno-heptose 6-epimerase - mechanism: 2 - step: 1
m-csa:557 - ADP-glyceromanno-heptose 6-epimerase - mechanism: 2 - step: 2
m-csa:557 - ADP-glyceromanno-heptose 6-epimerase - mechanism: 1 - step: 1
m-csa:576 - D-lactate dehydrogenase - mechanism: 1 - step: 1
m-csa:579 - glutamate dehydrogenase - mechanism: 1 - step: 1
m-csa:584 - L-lactate dehydrogenase - mechanism: 1 - step: 1
m-csa:593 - glycerol-3-phosphate dehydrogenase (NAD+) - mechanism: 1 - step: 2
m-csa:606 - enoyl-[acyl-carrier-protein] reductase (NADH) - mechanism: 1 - step: 1
m-csa:610 - precorrin-2 dehydrogenase - mechanism: 1 - step: 1
m-csa:618 - saccharopine dehydrogenase (NADP+, L-glutamate-forming) - mechanism: 1 - step: 3
m-csa:619 - glyceraldehyde-3-phosphate dehydrogenase (NAD(P)+) (phosphorylating) - mechanism: 1 - step: 3
m-csa:620 - enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific) - mechanism: 1 - step: 1
m-csa:627 - protein-disulfide reductase - mechanism: 1 - step: 4
m-csa:687 - deoxyhypusine synthase - mechanism: 1 - step: 1
m-csa:687 - deoxyhypusine synthase - mechanism: 1 - step: 6
m-csa:711 - glyceraldehyde-3-phosphate dehydrogenase (NADP+) - mechanism: 1 - step: 2
m-csa:721 - 2-dehydropantoate 2-reductase - mechanism: 1 - step: 1
m-csa:741 - histidinol dehydrogenase - mechanism: 1 - step: 1
m-csa:741 - histidinol dehydrogenase - mechanism: 1 - step: 3
m-csa:765 - 3-dehydro-L-gulonate 2-dehydrogenase - mechanism: 1 - step: 1
m-csa:775 - shikimate dehydrogenase - mechanism: 1 - step: 1
m-csa:785 - phosphoglycerate dehydrogenase - mechanism: 1 - step: 1
m-csa:800 - dihydropyrimidine dehydrogenase (NADP+) - mechanism: 1 - step: 1
m-csa:803 - aldehyde dehydrogenase (NAD+) (class 2) - mechanism: 1 - step: 3
m-csa:804 - glutamyl-tRNA reductase - mechanism: 1 - step: 2
m-csa:843 - glucose-6-phosphate dehydrogenase - mechanism: 1 - step: 1
m-csa:889 - phosphogluconate dehydrogenase (decarboxylating) - mechanism: 1 - step: 1
m-csa:891 - Tetrahydroxynaphthalene reductase - mechanism: 1 - step: 1
m-csa:925 - Nitrate reductase [NADH] - mechanism: 3 - step: 1
m-csa:967 - NADPH-dependent 7-cyano-7-deazaguanine reductase - mechanism: 1 - step: 7
m-csa:967 - NADPH-dependent 7-cyano-7-deazaguanine reductase - mechanism: 1 - step: 4
m-csa:974 - fatty acid synthase - β-ketoreductase (KR) - mechanism: 1 - step: 1
m-csa:982 - GMP reductase - mechanism: 1 - step: 2
m-csa:984 - phosphonate dehydrogenase - mechanism: 1 - step: 2