nintedanib metabolite bibf 1202-glucuronide
- Other Name: Nintedanib metabolite BIBF 1202-glucuronide
- InChIKey: ZWLCLBVLMQMOGO-DQSJHHFOSA-N
- InChI: InChI=1S/C36H57N5O9/c1-39-14-16-41(17-15-39)19-26(42)40(2)23-11-9-22(10-12-23)37-28(20-6-4-3-5-7-20)27-24-13-8-21(18-25(24)38-35(27)47)29(43)33-31(45)30(44)32(46)34(50-33)36(48)49/h20-25,30-34,37,44-46H,3-19H2,1-2H3,(H,38,47)(H,48,49)/b28-27-
- SMILES: CN1CCN(CC1)CC(=O)N(C)C2CCC(CC2)N/C(=C\3/C4CCC(CC4NC3=O)C(=O)C5C(C(C(C(O5)C(=O)O)O)O)O)/C6CCCCC6
- Exact Mass: 703.41563
- Molecular Formula: C36H57N5O9
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Compound CID:
169502018
169502018
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.