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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:benzyl thiol
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Accession:CHEBI:137674 term browser browse the term
Definition:A thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.
Synonyms:exact_synonym: phenylmethanethiol
 related_synonym: (mercaptomethyl)benzene;   Benzyl hydrosulfide;   Benzyl mercaptan;   Formula=C7H8S;   InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2;   InChIKey=UENWRTRMUIOCKN-UHFFFAOYSA-N;   Phenylmethyl mercaptan;   SMILES=C1(=CC=CC=C1)CS;   Thiobenzyl alcohol;   Toluene-alpha-thiol;   alpha-Mercaptotoluene;   alpha-Toluenethiol;   alpha-Toluolthiol;   benzenemethanethiol;   benzylthiol
 xref: CAS:100-53-8;   FooDB:FDB000803;   HMDB:HMDB0029633;   MetaCyc:CPD-21128;   PMID:12590483;   PMID:19962152;   PMID:23386308;   PMID:25284255;   PMID:25516366;   PMID:26358562;   PMID:26708339;   PMID:9920748;   Patent:EP0337838;   Reaxys:605864;   Wikipedia:enzyl_mercaptan


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      chemical role 19457
        fuel additive 3251
          toluene 3240
            benzyl thiol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    main group molecular entity 19792
                      s-block molecular entity 19626
                        hydrogen molecular entity 19613
                          hydrides 19115
                            organic hydride 18691
                              organic fundamental parent 18691
                                hydrocarbon 18435
                                  cyclic hydrocarbon 17232
                                    monocyclic hydrocarbon 6140
                                      annulene 5791
                                        aromatic annulene 5797
                                          benzene 5797
                                            alkylbenzene 3514
                                              methylbenzene 3368
                                                toluene 3240
                                                  benzyl thiol 0
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