gavestinel 4-o-acyl glucuronide
- Other Name: (2S,3S,4S,5R)-6-[3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: ITRQKRDZGOCGMA-COEUMGADSA-N
- InChI: InChI=1S/C24H20Cl2N2O9/c25-10-8-13(26)16-12(6-7-15(29)27-11-4-2-1-3-5-11)17(28-14(16)9-10)23(35)37-24-20(32)18(30)19(31)21(36-24)22(33)34/h1-9,18-21,24,28,30-32H,(H,27,29)(H,33,34)/b7-6+/t18-,19-,20+,21-,24?/m0/s1
- SMILES: C1=CC=C(C=C1)NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 550.05459
- Molecular Formula: C24H20Cl2N2O9
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Compound CID:
154699690
154699690
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.