Main compound image
(2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-[(3-phenyloxiran-2-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
  • Other Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[(3-phenyloxiran-2-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
  • InChIKey: QYYOHGIHNQSSFZ-YRFCHQJDSA-N
  • InChI: InChI=1S/C19H25N3O7S/c20-12(19(27)28)6-7-15(23)22-13(18(26)21-8-16(24)25)9-30-10-14-17(29-14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10,20H2,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t12-,13-,14?,17?/m0/s1
  • SMILES: C1=CC=C(C=C1)C2C(O2)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
  • Exact Mass: 439.14132
  • Molecular Formula: C19H25N3O7S
  • Compound CID: pubchemlite154699917 pubchem154699917
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.
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.

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