metabolite 6 (rpa 407922; mwt 349)
- Other Name: Triticonazole Metabolite 6 (RPA 407922; MWT 349)
- InChIKey: YEMGRGHKIRUNNE-QPEQYQDCSA-N
- InChI: InChI=1S/C17H20ClN3O2/c1-16(2)6-5-13(7-12-3-4-14(18)15(22)8-12)17(16,23)9-21-11-19-10-20-21/h3-4,7-8,10-11,22-23H,5-6,9H2,1-2H3/b13-7-
- SMILES: CC1(CC/C(=C/C2=CC(=C(C=C2)Cl)O)/C1(CN3C=NC=N3)O)C
- Exact Mass: 333.12440
- Molecular Formula: C17H20ClN3O2
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Compound CID:
139597983
139597983
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.