Ergothioneine
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Ergothioneine
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CAS No:
497-30-3
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Formula:
C9H15N3O2S
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Chemical Name:
Ergothioneine
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Synonyms:
1H-Imidazole-4-ethanaminium,α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt,(αS)-;1H-Imidazole-4-ethanaminium,α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,hydroxide,inner salt,(S)-;Ammonium,[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethyl-,hydroxide,inner salt,L-(+)-;Ergothioneine;Sympectothion;Thiasine;Thioneine;Histidine,2-mercapto-,trimethylbetaine;Histidine,2-mercapto-N,N-dimethyl-,betaine;L-Ergothioneine;2-Mercapto-N,N-dimethylhistidine methyl ester betaine;2-Mercaptohistidine trimethylbetaine;Ergothionine;1H-Imidazole-4-ethanaminium,α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt,(S)-;2-Mercaptohistidine betaine;NSC 7175;Thiotane;thiotaine;Phytothioneine;(S)-5-(2-Carboxy-2-(trimethylammonio)ethyl)-1H-imidazole-2-thiolate;(2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate;616-50-2;644-57-5;6330-63-8
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CAS No:
Description
Ergothioneine, an imidazole-2-thione derivative of histidine betaine, is synthesized by certain bacteria and fungi. Ergothioneine is generally considered an antioxidant[1].
Ergothioneine Use and Manufacturing
L-(+)-Ergothioneine is a natural molecule isolated from the rye ergot fungus and later identified in rat erythrocytes and liver and in numerous other animal tissues. Its antioxidizing properties may afford the compound therapeutic potential or it may be used as a food additive or in cosmetics. Antioxidant
Computed Properties
Molecular Weight:230.31
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:230.09632294
Monoisotopic Mass:230.09632294
Topological Polar Surface Area:93.4
Heavy Atom Count:15
Formal Charge:1
Complexity:320
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Potent antioxidant that protects cells from oxidative damage
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