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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/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.

Term:ergothioneine
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Accession:CHEBI:4828 term browser browse the term
Definition: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:exact_synonym: (2S)-3-(2-mercapto-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
 related_synonym: (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;   Formula=C9H15N3O2S;   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;   InChIKey=SSISHJJTAXXQAX-ZETCQYMHSA-N;   L-ergothioneine;   L-thioneine;   SMILES=C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C([O-])=O;   ergothioneine thiol;   ergothionine;   erythrothioneine;   sympectothion;   thiolhistidine-betaine;   thiolhistidinebetaine
 xref: Beilstein:5755696;   CAS:497-30-3;   HMDB:HMDB0003045;   KEGG:C05570
 xref_mesh: MESH:D004880
 xref: MetaCyc:CPD-15276;   PMID:15030958;   PMID:15744438;   PMID:17616140;   PMID:18670092;   PMID:18841979;   PMID:19660151;   PMID:19911007;   PMID:20420449;   PMID:23418129;   PMID:23494799;   PMID:23922985;   PMID:24392160;   PMID:25154712;   PMID:25736892;   PMID:26079795;   PMID:26149121;   PMID:26229105;   PMID:26338495;   PMID:26412552;   PMID:26542137;   PMID:26579093;   PMID:26634964;   PMID:26713511;   PMID:26772879;   PMID:26774486;   PMID:26921894;   PMID:26994919;   PMID:27101740;   PMID:27134772;   PMID:27306320;   PMID:27444382;   PMID:7144630;   Reaxys:5755696;   Reaxys:8411606;   Wikipedia:Ergothioneine
 cyclic_relationship: is_conjugate_base_of CHEBI:134344;   is_tautomer_of CHEBI:82707


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ergothioneine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase multiple interactions ISO Ergothioneine inhibits the reaction [Cisplatin results in decreased activity of ACHE protein] CTD PMID:20932872 NCBI chr12:22,472,358...22,477,052
Ensembl chr12:22,472,358...22,478,753
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      chemical role 19275
        antioxidant 14222
          ergothioneine 1
            2-sulfenohercynine 0
            S-methyl-L-ergothioneine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18508
                              organic divalent group 18501
                                organodiyl group 18501
                                  carbonyl group 18404
                                    carbonyl compound 18404
                                      carboxylic acid 18079
                                        amino acid 14080
                                          alpha-amino acid 11547
                                            L-alpha-amino acid 11381
                                              L-histidine 1
                                                L-histidine derivative 1
                                                  ergothioneine 1
                                                    2-sulfenohercynine 0
                                                    S-methyl-L-ergothioneine 0
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