inferred metabolite 2
- Other Name: N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-3-hydroxy-2-(2-oxoethyl)benzamide
- InChIKey: CCMPYQFRMCWPRK-UHFFFAOYSA-N
- InChI: InChI=1S/C26H26FN3O4S/c1-16-29-23(24(35-16)17-8-10-18(27)11-9-17)26(34)30-13-3-2-5-19(30)15-28-25(33)21-6-4-7-22(32)20(21)12-14-31/h4,6-11,14,19,32H,2-3,5,12-13,15H2,1H3,(H,28,33)
- SMILES: CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCCC3CNC(=O)C4=C(C(=CC=C4)O)CC=O
- Exact Mass: 495.16281
- Molecular Formula: C26H26FN3O4S
-
Compound CID:
118753471
118753471
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.