inferred metabolite 1
- Other Name: N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1a,6b-dihydrooxireno[2,3-b][1]benzofuran-6-carboxamide
- InChIKey: DPVAHVQLBOHLGD-UHFFFAOYSA-N
- InChI: InChI=1S/C26H24FN3O4S/c1-14-29-21(23(35-14)15-8-10-16(27)11-9-15)25(32)30-12-3-2-5-17(30)13-28-24(31)18-6-4-7-19-20(18)22-26(33-19)34-22/h4,6-11,17,22,26H,2-3,5,12-13H2,1H3,(H,28,31)
- SMILES: CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCCC3CNC(=O)C4=C5C6C(O6)OC5=CC=C4
- Exact Mass: 493.14716
- Molecular Formula: C26H24FN3O4S
-
Compound CID:
118753470
118753470
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.