S-methyl-L-ergothioneine
AlkaPlorer ID: AK108963
Synonym: '(+)-L-S-methylergothioneine', 'S-methylergothioneine', '(2S)-3-2-(methylsulfanyl)-1H-imidazol-4-yl-2-(trimethylammonio)propionate', '(+)-S-methyl-L-ergothioneine', '(+)-L-methylergothioneine', '(+)-S-methylergothioneine', 'L-S-methylergothioneine', '7S-(+)-methylergothioneine', 'L-(+)-S-methylergothioneine'
IUPAC Name: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
Structure
SMILES: CSC1=NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N1
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
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizosaccharomyces pombe | Schizosaccharomyces | Schizosaccharomycetaceae | Schizosaccharomycetales | Schizosaccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 243.332
TPSA？: 68.81
MolLogP？: -0.5011999999999996
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|