chembl4525762
- Other Name: (2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: RILBUEPDLIIYRF-GMQKQUAPSA-N
- InChI: InChI=1S/C29H29N3O10S/c33-21(34)11-8-18-13-32(31-26(18)42-29-24(37)22(35)23(36)25(41-29)28(38)39)12-16-6-9-20(10-7-16)40-14-19-15-43-27(30-19)17-4-2-1-3-5-17/h1-7,9-10,13,15,22-25,29,35-37H,8,11-12,14H2,(H,33,34)(H,38,39)/t22-,23-,24+,25-,29-/m0/s1
- SMILES: C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC=C(C=C3)CN4C=C(C(=N4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CCC(=O)O
- Exact Mass: 611.15737
- Molecular Formula: C29H29N3O10S
-
Compound CID:
155543695
155543695
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.