(2S,3S,4S,5R,6R)-6-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)((R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6R)-6-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: AYUINKXDLMIPNM-QRGVSUATSA-N
- InChI: InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)32(29-27(38)25(36)26(37)28(41-29)30(39)40)13-22(34)19-5-7-21(33)24-20(19)6-8-23(35)31-24/h5-10,18,22,25-29,33-34,36-38H,3-4,11-13H2,1-2H3,(H,31,35)(H,39,40)/t22-,25-,26-,27+,28-,29+/m0/s1
- SMILES: CCC1=C(C=C2CC(CC2=C1)N(C[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CC
- Exact Mass: 568.24208
- Molecular Formula: C30H36N2O9
-
Compound CID:
118753263
118753263
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.