(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-[(1s)-3-(methylazaniumyl)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylate
- Other Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1S)-3-(methylazaniumyl)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylate
- InChIKey: OBIZFSZXDHWUJZ-ANUWOGMRSA-N
- InChI: InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1
- SMILES: C[NH2+]CC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O
- Exact Mass: 489.14574
- Molecular Formula: C24H27NO8S
-
Compound CID:
29981512
29981512
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.