metabolite 3b
- Other Name: (2S,3S,4S,5R)-6-[4-[2-(2-carboxyethyl)-5-phenyl-1,3-oxazol-4-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: ORDARUCFJJHRLQ-UGQOMJHJSA-N
- InChI: InChI=1S/C24H23NO10/c26-16(27)11-10-15-25-17(21(34-15)13-4-2-1-3-5-13)12-6-8-14(9-7-12)33-24-20(30)18(28)19(29)22(35-24)23(31)32/h1-9,18-20,22,24,28-30H,10-11H2,(H,26,27)(H,31,32)/t18-,19-,20+,22-,24?/m0/s1
- SMILES: C1=CC=C(C=C1)C2=C(N=C(O2)CCC(=O)O)C3=CC=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 485.13220
- Molecular Formula: C24H23NO10
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Compound CID:
118753594
118753594
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.