Atazanavir metabolite M16
- InChIKey: YBTUDSMHJMWVSD-SOUVJXGZSA-N
- InChI: InChI=1S/C18H30N4O4/c1-18(2,3)15(22-17(25)26-4)16(24)21-13(14(23)11-20-19)10-12-8-6-5-7-9-12/h5-9,13-15,20,23H,10-11,19H2,1-4H3,(H,21,24)(H,22,25)/t13-,14-,15+/m0/s1
- SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNN)O)NC(=O)OC
- Exact Mass: 366.22671
- Molecular Formula: C18H30N4O4
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Compound CID:
118753185
118753185
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.