darunavir metabolite 11
- Other Name: Darunavir metabolite 11
- InChIKey: BVTIIDYGYUSNKM-JFORIESBSA-N
- InChI: InChI=1S/C26H37N3O10S/c1-14(2)12-29(13-19(30)18(28)10-15-6-4-3-5-7-15)40(36,37)16-8-9-17(27)20(11-16)38-26-23(33)21(31)22(32)24(39-26)25(34)35/h3-9,11,14,18-19,21-24,26,30-33H,10,12-13,27-28H2,1-2H3,(H,34,35)/t18-,19+,21?,22?,23?,24?,26?/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)OC3C(C(C(C(O3)C(=O)O)O)O)O
- Exact Mass: 583.21997
- Molecular Formula: C26H37N3O10S
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Compound CID:
169501811
169501811
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.