metabolite 1a
- Other Name: (2S,3S,4S,5R)-6-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: ZONKPOICDFFRNF-UGQOMJHJSA-N
- InChI: InChI=1S/C24H23NO9/c26-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)12-11-15-25-17(13-7-3-1-4-8-13)21(32-15)14-9-5-2-6-10-14/h1-10,18-20,22,24,27-29H,11-12H2,(H,30,31)/t18-,19-,20+,22-,24?/m0/s1
- SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4
- Exact Mass: 469.13728
- Molecular Formula: C24H23NO9
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Compound CID:
118753576
118753576
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.