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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-sulfanylbutan-1-ol
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Accession:CHEBI:156142 term browser browse the term
Definition:An alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer and domestic cat urine.
Synonyms:related_synonym: 3-mercapto-3-methyl-1-butanol;   3-mercapto-3-methyl-butan-1-ol;   3-mercapto-3-methylbutanol;   3-methyl-3-sulfanyl-1-butanol;   Formula=C5H12OS;   InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3;   InChIKey=GBCGIJAYTBMFHI-UHFFFAOYSA-N;   SMILES=CC(C)(S)CCO
 xref: AGR:IND605726491;   CAS:34300-94-2;   FooDB:FDB015000;   HMDB:HMDB0036149;   MetaCyc:CPD-21114;   PMID:10898639;   PMID:12009999;   PMID:16819917;   PMID:17052611;   PMID:17191898;   PMID:17488024;   PMID:18515361;   PMID:21741655;   PMID:24258737;   PMID:28602218;   PMID:29637491


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    chemical entity 19786
      molecular entity 19784
        polyatomic entity 19704
          molecule 19549
            organic molecule 19519
              volatile organic compound 14476
                3-methyl-3-sulfanylbutan-1-ol 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
                    main group molecular entity 19675
                      s-block molecular entity 19443
                        hydrogen molecular entity 19439
                          hydrides 18763
                            inorganic hydride 17484
                              chalcogen hydride 2453
                                sulfur hydride 2066
                                  hydrogen sulfide 2066
                                    thiol group 1952
                                      thiol 1952
                                        alkanethiol 101
                                          3-methyl-3-sulfanylbutan-1-ol 0
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