ERGOTHIONEINE
PubChem Notes:
Ergothioneine A naturally occurring metabolite of HISTIDINE that has antioxidant properties.
Molecular Formula:
C9H16N3O2S+
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)/p+1/t7-/m0/s1/fC9H16N3O2S/h10-11,13H/q+1
InChIKey: InChIKey=SSISHJJTAXXQAX-KFVSRUKSDA
SMILES: C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O
Names:
C05570
ERGOTHIONEINE
497-30-3
[(1S)-1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethyl-azanium
Registries:
PubChem CID 3037043
PubChem ID 7896
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