Thiolhistidine-betaine

PubChem Notes:

Ergothioneine A naturally occurring metabolite of HISTIDINE that has antioxidant properties.

Molecular Formula: C9H15N3O2S


InChI: InChI=1/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)/f/h10-11H

InChIKey: InChIKey=SSISHJJTAXXQAX-PZWAIHAUCV
SMILES: C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-]

Names:
    AI3-23492
    EINECS 207-843-5
    ERGOTHIONEINE
    Ergothionine
    L-Ergothioneine
    l-Thioneine
    NSC 7175
    Sympectothion
    Thiolhistidine-betaine
    (S)-(1-Carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxide
    3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-trimethylammonio-propanoate

Registries:
    PubChem CID 3032311
    PubChem ID 153616