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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:icas#3
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Accession:CHEBI:79052 term browser browse the term
Definition:A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
Synonyms:exact_synonym: (2E,8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
 related_synonym: 8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-nonenoic acid;   Formula=C24H31NO7;   InChI=1S/C24H31NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h6-8,10-12,14-16,20-21,24-26H,3-5,9,13H2,1-2H3,(H,27,28)/b12-6+/t15-,16+,20-,21-,24-/m1/s1;   InChIKey=MHHAGCKXSLPDOU-SUOYGWGXSA-N;   SMILES=C[C@H](CCCC\\C=C\\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12
 xref: CAS:1355681-39-8;   PMID:22239548;   PMID:22253572;   PMID:22662967;   PMID:22665789;   Reaxys:22233454;   SMID:icas%233%0D


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      biological role 19867
        molecular messenger 18688
          semiochemical 105
            pheromone 104
              ascr#3 0
                icas#3 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbohydrates and carbohydrate derivatives 15308
                                    carbohydrate 15308
                                      monosaccharide 4883
                                        aldose 3241
                                          aldohexose 2892
                                            deoxyhexose 154
                                              dideoxyhexose 0
                                                ascarylose 0
                                                  ascarylopyranose 0
                                                    alpha-ascarylopyranose 0
                                                      ascaroside 0
                                                        hydroxy fatty acid ascaroside 0
                                                          (omega-1)-hydroxy fatty acid ascaroside 0
                                                            ascr#3 0
                                                              icas#3 0
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