(2S,3S,4S,5R,6S)-6-[2-[[4-(3-amino-2-methylsulfanyl-3-oxopropyl)phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: XIJFKAARBURGKF-JTBKRVEUSA-N
- InChI: InChI=1S/C25H29N3O9S/c1-28-16-10-14(36-25-21(31)19(29)20(30)22(37-25)24(33)34)7-8-15(16)27-18(28)11-35-13-5-3-12(4-6-13)9-17(38-2)23(26)32/h3-8,10,17,19-22,25,29-31H,9,11H2,1-2H3,(H2,26,32)(H,33,34)/t17?,19-,20-,21+,22-,25+/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)CC(C(=O)N)SC
- Exact Mass: 547.16245
- Molecular Formula: C25H29N3O9S
-
Compound CID:
118753358
118753358
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.