tricagrelor metabolite m9
- Other Name: Tricagrelor metabolite M9
- InChIKey: YWLWHAOSYOZHJB-SNDAJLDCSA-N
- InChI: InChI=1S/C29H36F2N6O10S/c1-2-7-48-29-33-25(32-15-9-12(15)11-3-4-13(30)14(31)8-11)18-26(34-29)37(36-35-18)16-10-17(20(39)19(16)38)45-5-6-46-28-23(42)21(40)22(41)24(47-28)27(43)44/h3-4,8,12,15-17,19-24,28,38-42H,2,5-7,9-10H2,1H3,(H,43,44)(H,32,33,34)/t12-,15+,16+,17-,19-,20+,21?,22?,23?,24?,28?/m0/s1
- SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCOC4C(C(C(C(O4)C(=O)O)O)O)O)N[C@@H]5C[C@H]5C6=CC(=C(C=C6)F)F
- Exact Mass: 698.21817
- Molecular Formula: C29H36F2N6O10S
-
Compound CID:
169502256
169502256
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.