ibrutinib-sulfenic acid
- Other Name: Ibrutinib-sulfenic acid
- InChIKey: PSQBUACIOURRRJ-GOSISDBHSA-N
- InChI: InChI=1S/C25H26N6O3S/c26-24-22-23(17-8-10-20(11-9-17)34-19-6-2-1-3-7-19)29-31(25(22)28-16-27-24)18-5-4-13-30(15-18)21(32)12-14-35-33/h1-3,6-11,16,18,33H,4-5,12-15H2,(H2,26,27,28)/t18-/m1/s1
- SMILES: C1C[C@H](CN(C1)C(=O)CCSO)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
- Exact Mass: 490.17871
- Molecular Formula: C25H26N6O3S
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Compound CID:
172869343
172869343
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.