(2s,3s,4s,5r,6s)-6-(2-((4-((2,4-dioxothiazolidin-5-yl)methyl)phenoxy)methyl)-1-methyl-1h-benzo[d]imidazol-6-yloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-6-[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: MQCCAQUHDYHAEX-SEPSEVTNSA-N
- InChI: InChI=1S/C25H25N3O10S/c1-28-15-9-13(37-24-20(31)18(29)19(30)21(38-24)23(33)34)6-7-14(15)26-17(28)10-36-12-4-2-11(3-5-12)8-16-22(32)27-25(35)39-16/h2-7,9,16,18-21,24,29-31H,8,10H2,1H3,(H,33,34)(H,27,32,35)/t16?,18-,19-,20+,21-,24+/m0/s1
- SMILES: CN1C2=C(C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=C1COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5
- Exact Mass: 559.12607
- Molecular Formula: C25H25N3O10S
-
Compound CID:
118753132
118753132
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.