cobicistat metabolite m1
- Other Name: Cobicistat metabolite M1
- InChIKey: NJIAAGKQZKKERZ-PETXPVMUSA-N
- InChI: InChI=1S/C40H53N7O6S2/c1-29(25-48)38-43-34(27-54-38)24-46(2)39(50)45-36(15-16-47-17-19-52-20-18-47)37(49)42-32(21-30-9-5-3-6-10-30)13-14-33(22-31-11-7-4-8-12-31)44-40(51)53-26-35-23-41-28-55-35/h3-12,23,27-29,32-33,36,48H,13-22,24-26H2,1-2H3,(H,42,49)(H,44,51)(H,45,50)/t29?,32-,33-,36+/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)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5
- Exact Mass: 791.34987
- Molecular Formula: C40H53N7O6S2
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Compound CID:
169502007
169502007
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.