Hydroxy Darunavir
- InChIKey: XGXCRIIMIUNTCF-ARXROMJUSA-N
- InChI: InChI=1S/C27H37N3O8S/c1-27(2,33)17-30(39(34,35)20-10-8-19(28)9-11-20)15-23(31)22(14-18-6-4-3-5-7-18)29-26(32)38-24-16-37-25-21(24)12-13-36-25/h3-11,21-25,31,33H,12-17,28H2,1-2H3,(H,29,32)/t21-,22-,23+,24-,25+/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)O
- Exact Mass: 563.23014
- Molecular Formula: C27H37N3O8S
-
Compound CID:
71748962
71748962
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.