Ibrutinib metabolite M20
- InChIKey: OWLMEJMGINMLBG-OYKVQYDMSA-N
- InChI: InChI=1S/C25H24N6O5/c1-2-20(33)27-13-18(19(32)12-21(34)35)31-25-22(24(26)28-14-29-25)23(30-31)15-8-10-17(11-9-15)36-16-6-4-3-5-7-16/h2-11,14,18-19,32H,1,12-13H2,(H,27,33)(H,34,35)(H2,26,28,29)/t18-,19?/m0/s1
- SMILES: C=CC(=O)NC[C@@H](C(CC(=O)O)O)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)OC4=CC=CC=C4)N
- Exact Mass: 488.18082
- Molecular Formula: C25H24N6O5
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Compound CID:
169502046
169502046
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.