carboxyethyl-simetryn
- Other Name: Carboxyethyl-simetryn
- InChIKey: KAVCBDNFHDTNIZ-UHFFFAOYSA-N
- InChI: InChI=1S/C8H13N5O2S/c1-3-9-6-11-7(10-4-5(14)15)13-8(12-6)16-2/h3-4H2,1-2H3,(H,14,15)(H2,9,10,11,12,13)
- SMILES: CCNC1=NC(=NC(=N1)SC)NCC(=O)O
- Exact Mass: 243.07900
- Molecular Formula: C8H13N5O2S
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Compound CID:
85821503
85821503
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.