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S-methyl-L-ergothioneine

Go to external page http://purl.obolibrary.org/obo/CHEBI_76620

An amino acid betaine that is ergothioneine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has been isolated from the deepwater (500-1,600 m) marine sponge Macandrewia azorica.

Term info

Label

S-methyl-L-ergothioneine

Synonyms
  • (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
  • (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate [ IUPAC ]

IUPAC NAME
(2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propanoate [ IUPAC ]

charge

0

formula

C10H17N3O2S

has alternative id

CHEBI:90131

has obo namespace

chebi_ontology

has related synonym

(+)-L-S-methylergothioneine, (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propionate, S-methylergothioneine, (+)-S-methyl-L-ergothioneine, (+)-L-methylergothioneine, (+)-S-methylergothioneine, L-S-methylergothioneine, 7S-(+)-methylergothioneine, L-(+)-S-methylergothioneine

id

CHEBI:76620

inchi

InChI=1S/C10H17N3O2S/c1-13(2,3)8(9(14)15)5-7-6-11-10(12-7)16-4/h6,8H,5H2,1-4H3,(H-,11,12,14,15)/t8-/m0/s1

inchikey

GVQNHIYBRMFCMS-QMMMGPOBSA-N

mass

243.327

monoisotopicmass

243.10415

smiles

[N+](C)([C@H](C(=O)[O-])CC=1NC(SC)=NC1)(C)C