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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 25125
    role 25049
      biological role 25019
        biochemical role 24516
          metabolite 24417
            eukaryotic metabolite 23742
              plant metabolite 20058
                glucosinolate 5
                  alkylglucosinolate 5
                    glucocochlearin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 25125
    subatomic particle 25087
      composite particle 25087
        hadron 25087
          baryon 25087
            nucleon 25087
              atomic nucleus 25087
                atom 25087
                  main group element atom 24966
                    p-block element atom 24966
                      chalcogen 23888
                        oxygen atom 23776
                          oxygen molecular entity 23776
                            oxide 12696
                              oxoanion 9402
                                chalcogen oxoanion 678
                                  sulfur oxoanion 677
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          glucocochlearin(1-) 0
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