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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:spinosyn A
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Accession:CHEBI:9230 term browser browse the term
Definition:A spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad.
Synonyms:exact_synonym: (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranoside
 related_synonym: A 83543A;   Formula=C41H65NO10;   InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1;   InChIKey=SRJQTHAZUNRMPR-UYQKXTDMSA-N;   SMILES=[H][C@@]12C[C@H](C[C@@]1([H])[C@]1([H])C=C3C(=O)[C@H](C)[C@H](CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])C=C2)O[C@H]1CC[C@@H]([C@@H](C)O1)N(C)C)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC;   Spinosad factor A;   lepicidin A
 xref: Beilstein:6838034;   CAS:131929-60-7;   KEGG:C11054;   MetaCyc:CPD-13385;   PMID:21544146;   PMID:21834600;   PMID:22097790;   PMID:22200799;   PMID:22686274;   PMID:22885939;   Patent:WO2004095926;   Patent:WO2006127322;   Reaxys:6838034;   Wikipedia:Spinosad

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pesticide 0
          insecticide 0
            pediculicide 0
              spinosyn A 0
                spinosad 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        macrocyclic lactone 0
                                          macrolide 0
                                            macrolide antibiotic 0
                                              macrolide pesticide 0
                                                macrolide insecticide 0
                                                  spinosyn insecticide 0
                                                    spinosyn A 0
                                                      spinosad 0
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