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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:Isopropyl 1-thio-beta-D-glucopyranoside
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Accession:CHEBI:177463 term browser browse the term
Synonyms:exact_synonym: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulanyloxane-3,4,5-triol
 related_synonym: Formula=C9H18O5S;   InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1;   InChIKey=BPHPUYQFMNQIOC-ZEBDFXRSSA-N;   SMILES=S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(C)C
 xref: Chemspider:2080754


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 503
    chemical entity 503
      atom 503
        nonmetal atom 496
          sulfur atom 194
            sulfur molecular entity 194
              organosulfur compound 189
                thiosugar 0
                  S-glycosyl compound 0
                    Isopropyl 1-thio-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 503
    subatomic particle 503
      composite particle 503
        hadron 503
          baryon 503
            nucleon 503
              atomic nucleus 503
                atom 503
                  main group element atom 496
                    p-block element atom 496
                      carbon group element atom 485
                        carbon atom 484
                          organic molecular entity 484
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbohydrates and carbohydrate derivatives 48
                                    carbohydrate 48
                                      carbohydrate derivative 43
                                        glycosyl compound 34
                                          S-glycosyl compound 0
                                            Isopropyl 1-thio-beta-D-glucopyranoside 0
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