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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:(22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one
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Accession:CHEBI:70335 term browser browse the term
Definition:An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3, 5 and 9 and an oxo group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
Synonyms:exact_synonym: (3beta,5alpha,22E)-3,5,9-trihydroxyergosta-7,22-dien-6-one
 related_synonym: Formula=C28H44O4;   InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1;   InChIKey=GUERPVMWCQXYEU-IHEPTZRRSA-N;   SMILES=CC(C)[C@@H](C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
 xref: PMID:21043476;   Reaxys:5159144


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  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          metabolite 19319
            eukaryotic metabolite 18976
              fungal metabolite 17443
                Aspergillus metabolite 3232
                  (22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one 0
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      ketone 16192
                                        oxyketone 8647
                                          alpha-oxyketone 8647
                                            alpha-hydroxy ketone 8647
                                              tertiary alpha-hydroxy ketone 8372
                                                (22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one 0
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