ibrutininb metabolite m7 (m17-sulfate)
- Other Name: Ibrutininb metabolite M7 (M17-sulfate)
- InChIKey: RZWNKFREFWWNNG-QGZVFWFLSA-N
- InChI: InChI=1S/C25H26N6O7S/c1-2-21(33)27-14-17(4-3-13-32)31-25-22(24(26)28-15-29-25)23(30-31)16-5-7-18(8-6-16)37-19-9-11-20(12-10-19)38-39(34,35)36/h2,5-12,15,17,32H,1,3-4,13-14H2,(H,27,33)(H2,26,28,29)(H,34,35,36)/t17-/m1/s1
- SMILES: C=CC(=O)NC[C@@H](CCCO)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=C(C=C4)OS(=O)(=O)O)N
- Exact Mass: 554.15837
- Molecular Formula: C25H26N6O7S
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Compound CID:
169502118
169502118
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.