cobicistat metabolite m4
- Other Name: Cobicistat metabolite M4
- InChIKey: XVOHIKLOHSLXTN-JKPCMTSPSA-N
- InChI: InChI=1S/C35H50N6O4S/c1-26(24-42)34-38-31(25-46-34)23-40(2)35(44)39-32(15-16-41-17-19-45-20-18-41)33(43)37-30(22-28-11-7-4-8-12-28)14-13-29(36)21-27-9-5-3-6-10-27/h3-12,25-26,29-30,32,42H,13-24,36H2,1-2H3,(H,37,43)(H,39,44)/t26?,29-,30-,32+/m1/s1
- SMILES: CC(CO)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)N)CC4=CC=CC=C4
- Exact Mass: 650.36143
- Molecular Formula: C35H50N6O4S
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Compound CID:
169502231
169502231
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.