gavestinel 4-sulfate
- Other Name: 4,6-dichloro-3-[(E)-3-oxo-3-(4-sulfooxyanilino)prop-1-enyl]-1H-indole-2-carboxylic acid
- InChIKey: HHDJDYHZOXVMIE-AATRIKPKSA-N
- InChI: InChI=1S/C18H12Cl2N2O7S/c19-9-7-13(20)16-12(17(18(24)25)22-14(16)8-9)5-6-15(23)21-10-1-3-11(4-2-10)29-30(26,27)28/h1-8,22H,(H,21,23)(H,24,25)(H,26,27,28)/b6-5+
- SMILES: C1=CC(=CC=C1NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)OS(=O)(=O)O
- Exact Mass: 469.97423
- Molecular Formula: C18H12Cl2N2O7S
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Compound CID:
154699638
154699638
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.