ibrutinib metabolite pci-48303 (m26)
- Other Name: Ibrutinib metabolite PCI-48303 (M26)
- InChIKey: ASUMRVHMQDYPRM-QUVATAORSA-N
- InChI: InChI=1S/C33H37N9O8S/c34-23(32(47)48)12-13-25(43)39-24(31(46)36-15-26(44)45)17-51-33(49)41-14-4-5-20(16-41)42-30-27(29(35)37-18-38-30)28(40-42)19-8-10-22(11-9-19)50-21-6-2-1-3-7-21/h1-3,6-11,18,20,23-24H,4-5,12-17,34H2,(H,36,46)(H,39,43)(H,44,45)(H,47,48)(H2,35,37,38)/t20-,23?,24?/m1/s1
- SMILES: C1C[C@H](CN(C1)C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
- Exact Mass: 719.24858
- Molecular Formula: C33H37N9O8S
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Compound CID:
169501789
169501789
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.