defluorinated and gutathione conjugated form of dolutegravir (m4.1)
- Other Name: Defluorinated and gutathione conjugated form of dolutegravir (M4.1)
- InChIKey: MQBYXRKUHOZYII-UHFFFAOYSA-N
- InChI: InChI=1S/C23H25FN4O8S/c1-10-2-3-36-17-8-27-7-12(19(30)20(31)18(27)22(33)28(10)17)21(32)26-6-11-4-16(15(29)5-13(11)24)37-9-14(25)23(34)35/h4-5,7,10,14,17,29,31H,2-3,6,8-9,25H2,1H3,(H,26,32)(H,34,35)
- SMILES: CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=CC(=C(C=C4F)O)SCC(C(=O)O)N)O
- Exact Mass: 536.13771
- Molecular Formula: C23H25FN4O8S
-
Compound CID:
169501992
169501992
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.