(2s,3s,4s,5r)-6-[[(3s,4as,10ar)-3-(diethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinolin-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[[(3S,4aS,10aR)-3-(diethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: VJFXVUZYQUBQJM-UWCLXBPASA-N
- InChI: InChI=1S/C26H41N3O9S/c1-4-10-28-14-17(27-39(35,36)29(5-2)6-3)11-16-12-18-15(13-19(16)28)8-7-9-20(18)37-26-23(32)21(30)22(31)24(38-26)25(33)34/h7-9,16-17,19,21-24,26-27,30-32H,4-6,10-14H2,1-3H3,(H,33,34)/t16-,17+,19-,21+,22+,23-,24+,26?/m1/s1
- SMILES: CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NS(=O)(=O)N(CC)CC
- Exact Mass: 571.25635
- Molecular Formula: C26H41N3O9S
-
Compound CID:
154700019
154700019
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.