cobicistat metabolite m3
- Other Name: Cobicistat metabolite M3
- InChIKey: XMFHRYIHJKFQMJ-PSUXHBTPSA-N
- InChI: InChI=1S/C38H51N7O5S2/c1-27(2)36-42-32(25-51-36)23-45(3)37(48)44-34(16-17-39-18-19-46)35(47)41-30(20-28-10-6-4-7-11-28)14-15-31(21-29-12-8-5-9-13-29)43-38(49)50-24-33-22-40-26-52-33/h4-13,22,25-27,30-31,34,39,46H,14-21,23-24H2,1-3H3,(H,41,47)(H,43,49)(H,44,48)/t30-,31-,34+/m1/s1
- SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCNCCO)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4
- Exact Mass: 749.33931
- Molecular Formula: C38H51N7O5S2
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Compound CID:
59414275
59414275
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.