chembl4525768
- Other Name: Edoxaban metabolite M7
- InChIKey: PLNLONVCUKZPEM-JLJPHGGASA-N
- InChI: InChI=1S/C24H30ClN7O5S/c1-31-8-7-16-18(11-31)38-23(29-16)22(36)28-17-9-13(24(37)32(2)12-33)3-5-15(17)27-20(34)21(35)30-19-6-4-14(25)10-26-19/h4,6,10,13,15,17,33H,3,5,7-9,11-12H2,1-2H3,(H,27,34)(H,28,36)(H,26,30,35)/t13-,15-,17+/m0/s1
- SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)CO
- Exact Mass: 563.17177
- Molecular Formula: C24H30ClN7O5S
-
Compound CID:
155543712
155543712
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.