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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:glucoputranjivin(1-)
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Accession:CHEBI:5414 term browser browse the term
Definition:A alkylglucosinolate that is the conjugate base of glucoputranjivin.
Synonyms:exact_synonym: 1-S-[(1Z)-2-methyl-N-(sulfonatooxy)propanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 2-methylethylglucosinolate;   Formula=C10H18NO9S2;   Glucoputranjivin;   InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/p-1/b11-9-/t5-,6-,7+,8-,10+/m1/s1;   InChIKey=WGIQZGDVCQDPTG-WUBUQRIPSA-M;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\OS([O-])(=O)=O)/C(C)C;   isopropylglucosinolate;   propan-2-ylglucosinolate
 xref: CAS:18432-16-1;   KEGG:C08418;   Reaxys:3706093
 cyclic_relationship: is_conjugate_base_of CHEBI:79331



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  CHEBI ontology 397
    role 397
      biological role 397
        biochemical role 356
          metabolite 350
            eukaryotic metabolite 328
              plant metabolite 85
                glucosinolate 0
                  alkylglucosinolate 0
                    glucoputranjivin(1-) 0
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  CHEBI ontology 397
    subatomic particle 397
      composite particle 397
        hadron 397
          baryon 397
            nucleon 397
              atomic nucleus 397
                atom 397
                  main group element atom 390
                    p-block element atom 390
                      chalcogen 348
                        oxygen atom 346
                          oxygen molecular entity 346
                            oxide 17
                              oxoanion 8
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    glycosinolate 0
                                      glucosinolate 0
                                        alkylglucosinolate 0
                                          glucoputranjivin(1-) 0
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