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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:2,22,25-trideoxyecdysone
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Accession:CHEBI:19290 term browser browse the term
Definition:A 3beta-hydroxy steroid that is 5beta-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3beta and 14alpha positions.
Synonyms:exact_synonym: 3beta,14-dihydroxy-5beta-cholest-7-en-6-one
 related_synonym: 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one;   Formula=C27H44O3;   InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1;   InChIKey=FADCOUQPHXGWQS-ZCDXYYCTSA-N;   SMILES=[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
 xref: CAS:39219-57-3;   KEGG:C16493;   Reaxys:5304720


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        prohormone 6
          ecdysone 6
            2,22,25-trideoxyecdysone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                organic polycyclic compound 16513
                                  steroid 13051
                                    hydroxy steroid 12649
                                      3-hydroxy steroid 10359
                                        sterol 428
                                          3beta-sterol 422
                                            ecdysone 6
                                              2,22,25-trideoxyecdysone 0
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