Acetyl sertraline
- Other Name: Sertraline, acetyl
- InChIKey: VVNSLNBJUXUABM-AUUYWEPGSA-N
- InChI: InChI=1S/C19H19Cl2NO/c1-12(23)22(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(20)18(21)11-13/h3-7,9,11,14,19H,8,10H2,1-2H3/t14-,19-/m1/s1
- SMILES: CC(=O)N(C)[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
- Exact Mass: 347.08437
- Molecular Formula: C19H19Cl2NO
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Compound CID:
6428309
6428309
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.