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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:hercynylcysteine sulfoxide
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Accession:CHEBI:79057 term browser browse the term
Definition:A L-histidine derivative which is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria.
Synonyms:exact_synonym: (2S)-3-(2-{[(2R)-2-amino-2-carboxyethyl]sulfinyl}-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
 related_synonym: Formula=C12H20N4O5S;   InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/t8-,9-,22?/m0/s1;   InChIKey=CSTNDZVKJNPMIG-PTZMPWRZSA-N;   SMILES=C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](N)C(O)=O)C([O-])=O
 xref: MetaCyc:CPD-15277;   PMID:22209968;   PMID:24828577;   PMID:24958269;   Reaxys:24604971
 cyclic_relationship: is_tautomer_of CHEBI:82706


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      biological role 19732
        biochemical role 19333
          metabolite 19312
            eukaryotic metabolite 18980
              fungal metabolite 17440
                hercynylcysteine sulfoxide 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
                                              serine family amino acid 2489
                                                L-cysteine 1315
                                                  L-cysteine derivative 1305
                                                    hercynylcysteine sulfoxide 0
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