metabolite 3 (rpa 406341)
- Other Name: Triticonazole metabolite
- InChIKey: ICRKDZGIACRTIL-WFIKUFSXSA-N
- InChI: InChI=1S/C17H20ClN3O2/c1-16(2)8-15(22)14(7-12-3-5-13(18)6-4-12)17(16,23)9-21-11-19-10-20-21/h3-7,10-11,15,22-23H,8-9H2,1-2H3/b14-7-/t15-,17+/m1/s1
- SMILES: CC1(C[C@H](/C(=C/C2=CC=C(C=C2)Cl)/[C@]1(CN3C=NC=N3)O)O)C
- Exact Mass: 333.12440
- Molecular Formula: C17H20ClN3O2
-
Compound CID:
139595374
139595374
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.