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  3. EAWAG-BBD - 2025-04-29 19:23
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  5. bt0337-4117

Fatty acid (n) w C3 -keto + Fatty acid (n) w C2-C3 double bond + Fatty acid (n) + Fatty acid (n) w C3 -OH > Fatty acid (n-2)

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SMIRKS Representation

[#1,#6:11]~[#6;A:4](~[#1,#6:12])(~[!#7!#8:6])\[#6:3]([H])=[#6:2](\[#1,#6:10]([H])([H])([H]))-[#6:1](-[#8-:8])=[O:9]>>[#1,#6:11]~[#6;A:4](~[#1,#6:12])(~[!#7!#8:6])[#6:3](-[#8-])=O.[#8-:8]-[#6:1](=[O:9])-[#6:2]-[#1,#6:10]([H])([H])([H])

Reactant SMARTS

[#1,#6:11]~[#6;A:4](~[#1,#6:12])(~[!#7!#8:6])\[#6:3]([H])=[#6:2](\[#1,#6:10]([H])([H])([H]))-[#6:1](-[#8-:8])=[O:9]

Reactant Filter SMARTS

None

Reactant SMARTS

[#1,#6:11]~[#6;A:4](~[#1,#6:12])(~[!#7!#8:6])[#6:3](-[#8-])=O.[#8-:8]-[#6:1](=[O:9])-[#6:2]-[#1,#6:10]([H])([H])([H])

Product Filter SMARTS

None

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