glutathione conjugate metabolite
- Other Name: 2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(thiolan-1-ium-1-yl)propan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: HTIJTTYZWFCQEZ-UHFFFAOYSA-O
- InChI: InChI=1S/C14H23N3O6S/c15-9(14(22)23)3-4-11(18)17-10(8-24-5-1-2-6-24)13(21)16-7-12(19)20/h9-10H,1-8,15H2,(H3-,16,17,18,19,20,21,22,23)/p+1
- SMILES: C1CC[S+](C1)CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
- Exact Mass: 362.13858
- Molecular Formula: C14H24N3O6S+
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Compound CID:
118753526
118753526
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.