nintedanib metabolite m7
- Other Name: Nintedanib metabolite M7
- InChIKey: JROGHVBMGOVGEE-UHFFFAOYSA-N
- InChI: InChI=1S/C37H41N5O10/c1-40-15-17-42(18-16-40)20-27(43)41(2)24-12-10-23(11-13-24)38-29(21-7-5-4-6-8-21)28-25-14-9-22(36(49)50-3)19-26(25)39-34(28)52-37-32(46)30(44)31(45)33(51-37)35(47)48/h4-14,19,30-33,37,39,44-46H,15-18,20H2,1-3H3,(H,47,48)
- SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)O)O
- Exact Mass: 715.28534
- Molecular Formula: C37H41N5O10
-
Compound CID:
169501935
169501935
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.