(2s,3s,4s,5r)-6-[4-[(1r)-3-amino-1-phenylpropoxy]-3-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[4-[(1R)-3-amino-1-phenylpropoxy]-3-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: OCYYTTFFKJKWEH-PEAWXGHCSA-N
- InChI: InChI=1S/C22H27NO8/c1-12-11-14(29-22-19(26)17(24)18(25)20(31-22)21(27)28)7-8-15(12)30-16(9-10-23)13-5-3-2-4-6-13/h2-8,11,16-20,22,24-26H,9-10,23H2,1H3,(H,27,28)/t16-,17+,18+,19-,20+,22?/m1/s1
- SMILES: CC1=C(C=CC(=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O[C@H](CCN)C3=CC=CC=C3
- Exact Mass: 433.17367
- Molecular Formula: C22H27NO8
-
Compound CID:
154699838
154699838
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.