(2s,3s,4s,5r)-6-[2-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-1-phenylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[2-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-1-phenylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: KYGSWFWUYIVTSM-JJPTWMICSA-N
- InChI: InChI=1S/C32H31ClN2O10/c1-16-21(22-13-20(36)11-12-23(22)35(16)30(41)18-7-9-19(33)10-8-18)14-25(37)34-15-24(17-5-3-2-4-6-17)44-32-28(40)26(38)27(39)29(45-32)31(42)43/h2-13,24,26-29,32,36,38-40H,14-15H2,1H3,(H,34,37)(H,42,43)/t24?,26-,27-,28+,29-,32?/m0/s1
- SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)NCC(C4=CC=CC=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 638.16672
- Molecular Formula: C32H31ClN2O10
-
Compound CID:
154699757
154699757
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.