Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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
go back to main search page
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of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.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

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        xenobiotic 18413
          octane 2170
            8-(methylsulfinyl)octyl isothiocyanate 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
                                    octane 2170
                                      8-(methylsulfinyl)octyl isothiocyanate 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.