ibrutinib-s-glucuronide
- Other Name: Ibrutinib-S-glucuronide
- InChIKey: WZGBNYXYNIZKHY-GJENSBNDSA-N
- InChI: InChI=1S/C31H34N6O8S/c32-28-22-23(17-8-10-20(11-9-17)44-19-6-2-1-3-7-19)35-37(29(22)34-16-33-28)18-5-4-13-36(15-18)21(38)12-14-46-31-26(41)24(39)25(40)27(45-31)30(42)43/h1-3,6-11,16,18,24-27,31,39-41H,4-5,12-15H2,(H,42,43)(H2,32,33,34)/t18-,24+,25+,26-,27+,31?/m1/s1
- SMILES: C1C[C@H](CN(C1)C(=O)CCSC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N
- Exact Mass: 650.21588
- Molecular Formula: C31H34N6O8S
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Compound CID:
169502213
169502213
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.