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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 24775
    role 24693
      biological role 24662
        antimicrobial agent 20571
          antifungal agent 17193
            FR171456 0
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  CHEBI ontology 24775
    subatomic particle 24735
      composite particle 24735
        hadron 24735
          baryon 24735
            nucleon 24735
              atomic nucleus 24735
                atom 24735
                  main group element atom 24601
                    p-block element atom 24601
                      carbon group element atom 24393
                        carbon atom 24357
                          organic molecular entity 24357
                            organic group 22763
                              organic divalent group 22742
                                organodiyl group 22742
                                  carbonyl group 22729
                                    carbonyl compound 22729
                                      ketone 19063
                                        oxo steroid 10164
                                          6-oxo steroid 19
                                            FR171456 0
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