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L-(+)-Ergothioneine

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For Research Use Only | Not For Clinical Use
CATAPS497303
CAS497-30-3
Structure
MDL NumberMFCD00167474
Synonyms2-Mercaptohistidine betaine, thiotaine,1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (αS)-, Histidine, 2-mercapto-N,N-dimethyl-, betaine, 2-Mercapto-N,N-dimethylhistidine methyl ester betaine, Thiasine, Thioneine, Sympectothion, 2-Mercaptohistidine trimethylbetaine, Ammonium, [1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethyl-, hydroxide, inner salt, L-(+)- (8CI), Phytothioneine, 1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, (S)-, Ergothioneine, Thiotane, Histidine, 2-mercapto-, trimethylbetaine, Ergothionine, L-Ergothioneine, NSC 7175, 1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (S)-
IUPAC Name(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate
Molecular Weight229.30
Molecular FormulaC9H15N3O2S
EC Number207-843-5
Canonical SMILESC[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]
InChIInChI=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
InChI KeySSISHJJTAXXQAX-ZETCQYMHSA-N
Accurate Mass229.0885
FormatNeat
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryFood additives, flavours and adulterants
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