darunavir metabolite 17
- Other Name: Darunavir metabolite 17
- InChIKey: JZKNBGNTSCZWAH-HWDXPIHISA-N
- InChI: InChI=1S/C33H45N3O14S/c1-17(2)14-36(51(44,45)19-8-9-21(34)24(13-19)48-32-28(40)26(38)27(39)29(50-32)30(41)42)15-23(37)22(12-18-6-4-3-5-7-18)35-33(43)49-25-16-47-31-20(25)10-11-46-31/h3-9,13,17,20,22-23,25-29,31-32,37-40H,10-12,14-16,34H2,1-2H3,(H,35,43)(H,41,42)/t20-,22-,23+,25-,26?,27?,28?,29?,31+,32?/m0/s1
- SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC(=C(C=C4)N)OC5C(C(C(C(O5)C(=O)O)O)O)O
- Exact Mass: 739.26222
- Molecular Formula: C33H45N3O14S
-
Compound CID:
169501945
169501945
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.