chembl4525748
- Other Name: methyl (2S)-2-(2-chlorophenyl)-2-(1,2-dioxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
- InChIKey: YYKSADHBENQNEG-JYXIQEDQSA-N
- InChI: InChI=1S/C16H16ClNO4S/c1-22-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)23(13)21/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-,23?/m0/s1
- SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3=O)C2
- Exact Mass: 353.04886
- Molecular Formula: C16H16ClNO4S
-
Compound CID:
155543822
155543822
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.