3'-Hydroxy Darunavir
- InChIKey: JHSMVOSDDWDUEW-QSDJZFCLSA-N
- InChI: InChI=1S/C27H37N3O8S/c1-17(2)14-30(39(34,35)19-8-9-21(28)23(31)13-19)15-24(32)22(12-18-6-4-3-5-7-18)29-27(33)38-25-16-37-26-20(25)10-11-36-26/h3-9,13,17,20,22,24-26,31-32H,10-12,14-16,28H2,1-2H3,(H,29,33)/t20-,22-,24+,25-,26+/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:
129627311
129627311
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.