chembl4525744
- Other Name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(5-oxopentylamino)phenyl]butyl]amino]-2-oxoethyl]benzoic acid
- InChIKey: SYOVMHHUXYXBQJ-DEOSSOPVSA-N
- InChI: InChI=1S/C27H36N2O5/c1-4-34-25-17-20(12-13-22(25)27(32)33)18-26(31)29-24(16-19(2)3)21-10-6-7-11-23(21)28-14-8-5-9-15-30/h6-7,10-13,15,17,19,24,28H,4-5,8-9,14,16,18H2,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1
- SMILES: CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2NCCCCC=O)C(=O)O
- Exact Mass: 468.26242
- Molecular Formula: C27H36N2O5
-
Compound CID:
155543805
155543805
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.