Sitagliptin metabolite M6
- InChIKey: MLYWTHQQXKFFJF-ZSOXZCCMSA-N
- InChI: InChI=1S/C16H15F6N5O2/c17-8-4-10(19)9(18)3-7(8)14(29)11(23)5-13(28)26-1-2-27-12(6-26)24-25-15(27)16(20,21)22/h3-4,11,14,29H,1-2,5-6,23H2/t11-,14?/m0/s1
- SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](C(C3=CC(=C(C=C3F)F)F)O)N
- Exact Mass: 423.11299
- Molecular Formula: C16H15F6N5O2
-
Compound CID:
169501989
169501989
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.