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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:8-(methylsulfinyl)octyl isothiocyanate
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Accession:CHEBI:91152 term browser browse the term
Definition:A member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Synonyms:exact_synonym: 1-isothiocyanato-8-(methylsulfinyl)octane
 related_synonym: 8-MeSO-octyl-NCS;   8-methylsulfinyloctyl isothiocyanate;   Formula=C10H19NOS2;   InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3;   InChIKey=BCRXKWOQVFKZAG-UHFFFAOYSA-N;   SMILES=C(CCCCS(C)=O)CCCN=C=S;   hirsutin
 xref: CAS:31456-68-5;   HMDB:HMDB0035923;   PMID:10404541;   PMID:11062158;   PMID:21418358;   PMID:24253962;   PMID:24254774;   PMID:25457500;   Reaxys:1708483



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Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      biological role 20000
        xenobiotic 18623
          octane 2630
            8-(methylsulfinyl)octyl isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    main group molecular entity 19948
                      s-block molecular entity 19735
                        hydrogen molecular entity 19727
                          hydrides 19093
                            organic hydride 18613
                              organic fundamental parent 18613
                                hydrocarbon 18366
                                  alkane 14009
                                    octane 2630
                                      8-(methylsulfinyl)octyl isothiocyanate 0
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