chembl3706479
- Other Name: [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2-(6-oxa-2-thiabicyclo[3.1.0]hex-3-en-1-yl)-2-thiophen-2-ylacetate
- InChIKey: BECIZFBLXAODNP-VZCNJYFWSA-N
- InChI: InChI=1S/C19H22NO5S2/c1-20(2)11-8-10(9-12(20)16-15(11)24-16)23-17(21)18(22,14-4-3-6-26-14)19-13(25-19)5-7-27-19/h3-7,10-13,15-16,22H,8-9H2,1-2H3/q+1/t10?,11-,12+,13?,15-,16+,18?,19?
- SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C56C(O5)C=CS6)O)C
- Exact Mass: 408.09394
- Molecular Formula: C19H22NO5S2+
-
Compound CID:
122197268
122197268
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.