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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: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;   CAS:51755-83-0;   HMDB:HMDB0040152;   PMID:12769536;   PMID:21332202;   PMID:21854044;   PMID:22663147;   PMID:22868118;   PMID:24576684;   Reaxys:1846873


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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        food additive 16109
          flavouring agent 4529
            3-mercaptohexanol 0
              3-mercaptohexyl acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              chalcogen hydride 2569
                                sulfur hydride 2081
                                  hydrogen sulfide 2081
                                    thiol group 1962
                                      thiol 1962
                                        alkanethiol 114
                                          3-mercaptohexanol 0
                                            3-mercaptohexyl acetate 0
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