Molecule: ergothioneine
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a mercapto group. A naturally occurring metabolite of histidine synthesized by bacteria and fungi with antioxidant properties. It is found ubiquitously in plants and animals and is present in many human foodstuffs.
Synonyms for ergothioneine :
(2S)-3-(2-mercapto-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate
(S)-(1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxide
(alphaS)-alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium inner salt
2-mercaptohistidine trimethylbetaine
3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-trimethylammonio-propanoate
L-ergothioneine
L-thioneine
ergothioneine thiol
ergothionine
erythrothioneine
sympectothion
thiolhistidine-betaine
thiolhistidinebetaine
Molecular Formula: C9H15N3O2S
Molecular wt: 229.29900 g/mole
Charge: 0
SMILES: C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C([O-])=O
InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N
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)/t7-/m0/s1
Sample reactions for this molecule: