sitagliptin metabolite m2 (cis)
- Other Name: Sitagliptin metabolite M2 (cis)
- InChIKey: HQGOPQYWCCXSMH-KBPLZSHQSA-N
- InChI: InChI=1S/C16H13F6N5O/c17-9-4-11(19)10(18)2-7(9)1-8-3-14(28)26-6-13-24-25-15(16(20,21)22)27(13)5-12(26)23-8/h2,4,8,12,23H,1,3,5-6H2/t8-,12?/m0/s1
- SMILES: C1[C@@H](NC2CN3C(=NN=C3C(F)(F)F)CN2C1=O)CC4=CC(=C(C=C4F)F)F
- Exact Mass: 405.10243
- Molecular Formula: C16H13F6N5O
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Compound CID:
169501898
169501898
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.