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CHEBI:82707 - ergothioneine thione form
| Formula | C9H15N3O2S |
| Net Charge | 0 |
| Average Mass | 229.305 |
| Monoisotopic Mass | 229.08850 |
| SMILES | C[N+](C)(C)[C@@H](Cc1cnc(=S)n1)C(=O)[O-] |
| InChI | InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1 |
| InChIKey | SSISHJJTAXXQAX-ZETCQYMHSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ergothioneine thione form (CHEBI:82707) has role fungal metabolite (CHEBI:76946) |
| ergothioneine thione form (CHEBI:82707) has role plant metabolite (CHEBI:76924) |
| ergothioneine thione form (CHEBI:82707) has role xenobiotic metabolite (CHEBI:76206) |
| ergothioneine thione form (CHEBI:82707) is a L-histidine derivative (CHEBI:84076) |
| ergothioneine thione form (CHEBI:82707) is a 1,3-dihydroimidazole-2-thiones (CHEBI:139340) |
| ergothioneine thione form (CHEBI:82707) is a amino-acid betaine (CHEBI:22860) |
| ergothioneine thione form (CHEBI:82707) is tautomer of ergothioneine (CHEBI:4828) |
| Incoming Relation(s) |
| (E)-thiourocanate thione form (CHEBI:229689) has functional parent ergothioneine thione form (CHEBI:82707) |
| ergothioneine (CHEBI:4828) is tautomer of ergothioneine thione form (CHEBI:82707) |
| IUPAC Name |
|---|
| (2S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate |
| Synonym | Source |
|---|---|
| ergothioneine | ChEBI |
| UniProt Name | Source |
|---|---|
| ergothioneine (thione form) | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0003045 | HMDB |
| C05570 | KEGG COMPOUND |
| CPD-15276 | MetaCyc |
| Ergothioneine | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6117289 | Reaxys |
| Citations |
|---|