Ibrutinib metabolite M17
- InChIKey: XFSXASIJZSCNTJ-QGZVFWFLSA-N
- InChI: InChI=1S/C25H26N6O4/c1-2-21(34)27-14-17(4-3-13-32)31-25-22(24(26)28-15-29-25)23(30-31)16-5-9-19(10-6-16)35-20-11-7-18(33)8-12-20/h2,5-12,15,17,32-33H,1,3-4,13-14H2,(H,27,34)(H2,26,28,29)/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)O)N
- Exact Mass: 474.20155
- Molecular Formula: C25H26N6O4
-
Compound CID:
169502221
169502221
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.