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ergothioneine thione form - Ontology Report - Rat Genome Database

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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 thione form
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Accession:CHEBI:82707 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 thioxo group.
Synonyms:exact_synonym: (2S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
 related_synonym: 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;   SMILES=C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O;   ergothioneine
 xref: HMDB:HMDB0003045;   KEGG:C05570;   MetaCyc:CPD-15276;   PMID:23053092;   PMID:23557367;   PMID:23662614;   PMID:24016264;   PMID:24586778;   PMID:24797165;   PMID:24799212;   PMID:24817736;   PMID:24828577;   PMID:24854868;   PMID:25022513;   PMID:25068406;   PMID:25275953;   Reaxys:6117289;   Wikipedia:Ergothioneine
 cyclic_relationship: is_tautomer_of CHEBI:4828

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  CHEBI ontology 20845
    role 20805
      biological role 20803
        biochemical role 20250
          metabolite 20231
            xenobiotic metabolite 16596
              ergothioneine thione form 0
                (E)-thiourocanate thione form 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    main group molecular entity 20766
                      s-block molecular entity 20561
                        hydrogen molecular entity 20545
                          hydrides 19679
                            inorganic hydride 18572
                              pnictogen hydride 18558
                                nitrogen hydride 18469
                                  azane 18229
                                    ammonia 18228
                                      organic amino compound 18228
                                        amino acid 16314
                                          alpha-amino acid 14201
                                            L-alpha-amino acid 12350
                                              L-histidine 17
                                                L-histidine derivative 13
                                                  ergothioneine thione form 0
                                                    (E)-thiourocanate thione form 0
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