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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:glucocochlearin(1-)
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Accession:CHEBI:5402 term browser browse the term
Definition:An alkylglucosinolate that is the conjugate base of glucocochlearin.
Synonyms:exact_synonym: 1-S-[(1Z)-2-methyl-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 1-Methylpropyl glucosinolate;   1-methylpropylglucosinolate;   Formula=C11H20NO9S2;   Glucocochlearin;   InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-10-/t5?,6-,7-,8+,9-,11+/m1/s1;   InChIKey=TUSWQPFNQXCPGB-ANPCENJRSA-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(CC)C;   sec-butylglucosinolate
 xref: CAS:499-24-1;   KEGG:C08407;   KNApSAcK:C00001468
 cyclic_relationship: is_conjugate_base_of CHEBI:79329



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Term Annotations click to browse term
  CHEBI ontology 19823
    role 19773
      biological role 19773
        biochemical role 19390
          metabolite 19367
            eukaryotic metabolite 19054
              plant metabolite 17458
                glucosinolate 5
                  alkylglucosinolate 5
                    glucocochlearin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      chalcogen 19471
                        oxygen atom 19447
                          oxygen molecular entity 19447
                            oxide 11767
                              oxoanion 8909
                                chalcogen oxoanion 610
                                  sulfur oxoanion 609
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          glucocochlearin(1-) 0
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