CAS Number497-30-3
Synonymsergothioneine; L-Ergothioneine; (2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate; [(S)-1-carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-ethyl]-trimethyl-ammonium,betaine; Thiolhistidine betaine; Sympectothion; (S)-a-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium Hydroxide Inner Salt; L(+)-Ergothioneine; Thiotane; 2-thiol-L-histidine-betaine; [(S)-1-Carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-aethyl]-trimethyl-ammonium,Betain; Ammonium, [1-carboxy-2-(2-thioxo-4-imidazolin-4-yl)ethyl]trimethyl-, hydroxide, inner salt; (2S)-3-(2-Sulfanyl-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate; [1-Carboxy-2-[2-mercaptoimidazol-4(or 5)-yl]ethyl]trimethylammonium Hydroxide Inner Salt; thiotaine; Thiasine; Thiolhistidine-βine; Phytothionein
Molecular FormulaC9H15N3O2S
Molecular Weight229.30
Melting Point275-277ºC (dec.)
Appearancewhite solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 497-30-3 |
| Catalog No. | 2A-0202370 |
| Chinese Name | 麦角硫因 |
| Synonyms | ergothioneine; L-Ergothioneine; (2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate; [(S)-1-carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-ethyl]-trimethyl-ammonium,betaine; Thiolhistidine betaine; Sympectothion; (S)-a-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium Hydroxide Inner Salt; L(+)-Ergothioneine; Thiotane; 2-thiol-L-histidine-betaine; [(S)-1-Carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-aethyl]-trimethyl-ammonium,Betain; Ammonium, [1-carboxy-2-(2-thioxo-4-imidazolin-4-yl)ethyl]trimethyl-, hydroxide, inner salt; (2S)-3-(2-Sulfanyl-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate; [1-Carboxy-2-[2-mercaptoimidazol-4(or 5)-yl]ethyl]trimethylammonium Hydroxide Inner Salt; thiotaine; Thiasine; Thiolhistidine-βine; Phytothionein |
| Molecular Formula | C9H15N3O2S |
| Molecular Weight | 229.30 |
| Melting Point | 275-277ºC (dec.) |
| Appearance | white solid |
| Storage Condition | -20°C |
| Application | Ergothioneine is an imidazole-2-thione derivative of histidine betaine, which is synthesized by certain bacteria and fungi. Ergothioneine is often considered an antioxidant. |
| PubChem ID | 8137887 |
| SMILES | C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]1)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) |
| InChI Key | SSISHJJTAXXQAX-ZETCQYMHSA-N |
| Transport Info | Product name: Ergothioneine |
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