(2S,3S,4S,5R,6S)-6-(5-((1R)-2-(5-ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-2-oxo-1,2-dihydroquinolin-8-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Other Name: beta-D-Glucopyranosiduronic acid, 5-((1R)-2-((5-ethyl-2,3-dihydro-6-(1-hydroxyethyl)-1H-inden-2-yl)amino)-1-hydroxyethyl)-1,2-dihydro-2-oxo-8-quinolinyl
- InChIKey: BVTBCVRDIGHXMX-HNGGEHJHSA-N
- InChI: InChI=1S/C30H36N2O10/c1-3-14-8-15-9-17(10-16(15)11-20(14)13(2)33)31-12-21(34)18-4-6-22(24-19(18)5-7-23(35)32-24)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h4-8,11,13,17,21,25-28,30-31,33-34,36-38H,3,9-10,12H2,1-2H3,(H,32,35)(H,39,40)/t13?,17?,21-,25-,26-,27+,28-,30+/m0/s1
- SMILES: CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C(C)O
- Exact Mass: 584.23700
- Molecular Formula: C30H36N2O10
-
Compound CID:
118753331
118753331
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.