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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-methyl-3-sulfanylhexan-1-ol
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Accession:CHEBI:146780 term browser browse the term
Definition:A primary alcohol that is hexan-1-ol which is substituted by a methyl group and a thiol group at position 3. It is the odor component of human axilla sweat and the major species at pH 7.3.
Synonyms:related_synonym: 3-mercapto-3-methyl-1-hexanol;   3-mercapto-3-methylhexan-1-ol;   3-methyl-3-mercaptohexan-1-ol;   3-methyl-3-sulfanyl-1-hexanol;   3-methyl-3-sulfanyl-hexan-1-ol;   3-methyl-3-sulphanylhexan-1-ol;   3M3SH;   Formula=C7H16OS;   InChI=1S/C7H16OS/c1-3-4-7(2,9)5-6-8/h8-9H,3-6H2,1-2H3;   InChIKey=PSALIMFZUGITJC-UHFFFAOYSA-N;   SMILES=C(CC(CCO)(S)C)C
 xref: AGR:IND44654748;   CAS:307964-23-4;   PMID:17191896;   PMID:17191898;   PMID:17192014;   PMID:17193253;   PMID:18515361;   PMID:24533866;   PMID:26163522;   PMID:26840760;   PMID:27789516;   PMID:28062945;   PMID:29966586


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    chemical entity 19816
      group 19728
        inorganic group 19185
          thiol group 1942
            thiol 1942
              3-methyl-3-sulfanylhexan-1-ol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  alkane 13702
                                    hexane 425
                                      hexanol 4
                                        hexan-1-ol 4
                                          3-methyl-3-sulfanylhexan-1-ol 0
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