Sitagliptin metabolite M3
- InChIKey: OJLTXYWFDGNSCQ-LRUJAZMASA-N
- InChI: InChI=1S/C22H23F6N5O8/c23-8-4-10(25)9(24)3-7(8)17(40-20-16(37)14(35)15(36)18(41-20)19(38)39)11(29)5-13(34)32-1-2-33-12(6-32)30-31-21(33)22(26,27)28/h3-4,11,14-18,20,35-37H,1-2,5-6,29H2,(H,38,39)/t11-,14-,15-,16+,17?,18-,20?/m0/s1
- SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](C(C3=CC(=C(C=C3F)F)F)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)N
- Exact Mass: 599.14508
- Molecular Formula: C22H23F6N5O8
-
Compound CID:
169502029
169502029
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.