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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:7-ketocholesterol
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Accession:CHEBI:64294 term browser browse the term
Definition:A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.
Synonyms:related_synonym: (3-beta)-3-Hydroxycholest-5-en-7-one;   (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one;   3-beta-Hydroxycholest-5-en-7-one;   3beta-hydroxycholest-5-en-7-one;   7-oxocholesterol;   Formula=C27H44O2;   InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1;   InChIKey=YIKKMWSQVKJCOP-ABXCMAEBSA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
 xref: Beilstein:2169084;   CAS:566-28-9
 xref_mesh: MESH:C003001
 xref: PMID:17846428;   PMID:18469840;   PMID:18495460;   PMID:18603819;   PMID:18936140;   PMID:19351882;   PMID:19429117;   PMID:19464253;   PMID:19834037;   PMID:19880645;   PMID:20424663;   PMID:20463934;   PMID:20466046;   PMID:20471966;   PMID:20554621;   PMID:20698354;   PMID:21035514;   Reaxys:2169084

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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            protective agent 0
              neuroprotective agent 0
                7-ketocholesterol 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        3beta-hydroxy steroid 0
                                          3beta-hydroxy-Delta(5)-steroid 0
                                            cholesterol 0
                                              7-ketocholesterol 0
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