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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of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.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 19899
    role 19869
      biological role 19867
        xenobiotic 18749
          octane 4865
            8-(methylsulfinyl)octyl isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            organic hydride 18712
                              organic fundamental parent 18712
                                hydrocarbon 18460
                                  alkane 14664
                                    octane 4865
                                      8-(methylsulfinyl)octyl isothiocyanate 0
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