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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-deoxyecdysone
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Accession:CHEBI:19566 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, 14alpha, 22 pro-R and 25 positions.
Synonyms:exact_synonym: (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one
 related_synonym: 2-Deoxy-alpha-ecdysone;   Formula=C27H44O5;   InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27+/m0/s1;   InChIKey=CRAPXAGGASWTPU-VQOIUDCISA-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)[C@H](O)CCC(C)(C)O
 xref: CAS:31575-91-4;   KEGG:C16495;   Reaxys:5311326
 cyclic_relationship: is_conjugate_acid_of CHEBI:147386


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      biological role 19761
        prohormone 11
          ecdysone 11
            2-deoxyecdysone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              organic cyclic compound 19351
                                organic polycyclic compound 16535
                                  steroid 13057
                                    hydroxy steroid 12657
                                      3-hydroxy steroid 10367
                                        sterol 439
                                          3beta-sterol 433
                                            ecdysone 11
                                              2-deoxyecdysone 0
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