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  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0001-3568
bt0001-3568
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primary Alcohol > Aldehyde

Image Representation

SMIRKS Representation

[H][#8:2][C:1]([H:5])([H])[#1,#6:6]>>[H:5][#6:1](-[#1,#6:6])=[O:2]

Reactant SMARTS

[H][#8:2][C:1]([H:5])([H])[#1,#6:6]

Reactant Filter SMARTS

[$([H]C(C)=O)]

Reactant SMARTS

[H:5][#6:1](-[#1,#6:6])=[O:2]

Product Filter SMARTS

None

Included in Composite Rules

bt0001

Scenarios

Reactions

Eawag BBD reaction r0002 Eawag BBD reaction r0022 Eawag BBD reaction r0172 Eawag BBD reaction r0174 Eawag BBD reaction r0176 Eawag BBD reaction r0213 Eawag BBD reaction r0221 Eawag BBD reaction r0238 Eawag BBD reaction r0267 Eawag BBD reaction r0291 Eawag BBD reaction r0393 Eawag BBD reaction r0400 Eawag BBD reaction r0603 Eawag BBD reaction r0616 Eawag BBD reaction r0651 Eawag BBD reaction r0710 Eawag BBD reaction r0729 Eawag BBD reaction r0771 Eawag BBD reaction r0786 Eawag BBD reaction r1155 Eawag BBD reaction r1270 Eawag BBD reaction r1308 Eawag BBD reaction r1433 Eawag BBD reaction r1516, Eawag BBD reaction r1538 Eawag BBD reaction r1520 Eawag BBD reaction r1525 Eawag BBD reaction r1766 Eawag BBD reaction r1839

Pathways

1,2-Dichloroethane 1-Methylnaphthalene 2-Methylnaphthalene alpha-Pinene C1 Metabolic Cycle Citronellol Cyclohexane Dodecyl sulfate Furfural Isooctane Limonene m-Cresol Methyl ethyl ketone Methyl tert-butyl ether m-Xylene N,N-Diethyl-m-toluamide n-Octane o-Xylene p-Cymene Permethrin p-Xylene Pyridoxine Toluene Toluene-4-sulfonate Vanillin

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How to cite enviPath

enviPath–The environmental contaminant biotransformation pathway resource. J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner. Nucleic Acids Research, gkv1229


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