Send us a Message

Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

go back to main search page
Accession:CHEBI:76620 term browser browse the term
Definition: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.
Synonyms:exact_synonym: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate;   (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propanoate
 related_synonym: (+)-L-methylergothioneine;   (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propionate;   7S-(+)-methylergothioneine;   Formula=C10H17N3O2S;   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;   L-S-methylergothioneine;   S-methylergothioneine;   SMILES=[N+](C)([C@H](C(=O)[O-])CC=1NC(SC)=NC1)(C)C
 alt_id: CHEBI:90131
 xref: PMID:15340692;   PMID:24167631;   PMID:8615839

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      chemical role 19281
        antioxidant 14389
          ergothioneine 10
            S-methyl-L-ergothioneine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        amino acid 14171
                                          alpha-amino acid 11724
                                            L-alpha-amino acid 11561
                                              L-histidine 10
                                                L-histidine derivative 10
                                                  ergothioneine 10
                                                    S-methyl-L-ergothioneine 0
paths to the root