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ONTOLOGY REPORT - ANNOTATIONS


Term:3-mercaptohexanol
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Accession:CHEBI:77690 term browser browse the term
Definition:An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.
Synonyms:exact_synonym: 3-sulfanylhexan-1-ol
 related_synonym: 3-Mercapto-1-hexanol;   3-Mercaptohexan-1-ol;   3-Sulfanyl-1-hexanol;   3-Sulphanylhexan-1-ol;   Formula=C6H14OS;   InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3;   InChIKey=TYZFMFVWHZKYSE-UHFFFAOYSA-N;   SMILES=CCCC(S)CCO
 xref: AGR:IND500675793 "Europe PMC";   CAS:51755-83-0 "ChemIDplus";   CAS:51755-83-0 "NIST Chemistry WebBook";   HMDB:HMDB0040152;   PMID:12769536 "Europe PMC";   PMID:21332202 "Europe PMC";   PMID:21854044 "Europe PMC";   PMID:22663147 "Europe PMC";   PMID:22868118 "Europe PMC";   PMID:24576684 "Europe PMC";   Reaxys:1846873 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      application 19308
        food additive 14584
          flavouring agent 1189
            3-mercaptohexanol 0
              3-mercaptohexyl acetate 0
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    main group molecular entity 19598
                      s-block molecular entity 19361
                        hydrogen molecular entity 19350
                          hydrides 18280
                            inorganic hydride 17204
                              chalcogen hydride 2369
                                sulfur hydride 1989
                                  hydrogen sulfide 1989
                                    thiol group 1923
                                      thiol 1923
                                        alkanethiol 72
                                          3-mercaptohexanol 0
                                            3-mercaptohexyl acetate 0
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