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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:FR171456
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Accession:CHEBI:88298 term browser browse the term
Definition:A steroid acid that is 9beta,19-cyclo-5alpha-ergost-24(28)-ene-4alpha-carboxylic acid which is substituted by hydroxy groups at the 3beta, 8alpha, and 11alpha positions, by a methyl group at the 4beta position, and by oxo groups at positions 1 and 6. It is a cholesterol and ergosterol synthesis inhibitor isolated from the fungus Sporormiella minima that specifically targets the enzyme, sterol-4-alpha-carboxylate-3-dehydrogenase, encoded by ERG26 in budding yeast, and NSDHL in humans.
Synonyms:exact_synonym: 3beta,8alpha,11alpha-trihydroxy-4-methyl-1,6-dioxo-9beta,19-cyclo-5alpha-ergost-24(28)-ene-4alpha-carboxylic acid
 related_synonym: (3beta,4alpha,5alpha,8alpha,9beta,11alpha)-3,8,11-trihydroxy-4-methyl-1,6-dioxo-9,19-cycloergost-24(28)-ene-4-carboxylic acid;   Formula=C30H44O7;   InChI=1S/C30H44O7/c1-15(2)16(3)7-8-17(4)18-9-10-20-26(18,5)13-23(34)29-14-28(29)22(33)11-21(32)27(6,25(35)36)24(28)19(31)12-30(20,29)37/h15,17-18,20-21,23-24,32,34,37H,3,7-14H2,1-2,4-6H3,(H,35,36)/t17-,18-,20-,21+,23-,24+,26-,27-,28+,29+,30+/m1/s1;   InChIKey=JAHGNOXPMXOEJS-BSPLYONXSA-N;   SMILES=[C@]123C(C[C@@H]([C@@]([C@@]1(C(C[C@]4([C@]2([C@@H](C[C@]5([C@]4(CC[C@@]5([C@@H](CCC(C(C)C)=C)C)[H])[H])C)O)C3)O)=O)[H])(C)C(O)=O)O)=O
 xref: PMID:15217189;   PMID:15217190;   PMID:26456460


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  CHEBI ontology 19781
    role 19726
      biological role 19726
        antimicrobial agent 17379
          antifungal agent 15041
            FR171456 0
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  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 group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      ketone 16828
                                        oxo steroid 9719
                                          6-oxo steroid 19
                                            FR171456 0
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