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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:7alpha,12alpha,25-Trihydroxycholest-4-en-3-one
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Accession:CHEBI:187968 term browser browse the term
Synonyms:exact_synonym: (7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
 related_synonym: Formula=C27H44O4;   InChI=1S/C27H44O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h13,16,19-24,29-31H,6-12,14-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1;   InChIKey=FQABTKAQUPNRDK-RIOWZCLJSA-N;   SMILES=O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4(C(C[C@H]3O)=CC(=O)CC4)C)(C1)[H])[H])(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C
 xref: Chemspider:4447353;   LIPID_MAPS_instance:LMST04030105


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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          carbon atom 2
            organic molecular entity 2
              lipid 0
                steroid 0
                  cholestanoid 0
                    7alpha,12alpha,25-Trihydroxycholest-4-en-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic polycyclic compound 0
                                  steroid 0
                                    steroid fundamental parent 0
                                      cholestane 0
                                        cholestanoid 0
                                          7alpha,12alpha,25-Trihydroxycholest-4-en-3-one 0
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