darunavir metabolite 15
- Other Name: Darunavir metabolite 15
- InChIKey: WWWIHCNFYLYPBT-AZUAARDMSA-N
- InChI: InChI=1S/C20H29N3O4S/c1-14(2)12-23(28(26,27)16-8-9-17(21)19(24)11-16)13-20(25)18(22)10-15-6-4-3-5-7-15/h3-9,11,14,18,20,24-25H,10,12-13,21-22H2,1-2H3/t18-,20+/m0/s1
- SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC(=C(C=C2)N)O
- Exact Mass: 407.18788
- Molecular Formula: C20H29N3O4S
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Compound CID:
66890891
66890891
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.