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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 909
    role 868
      biological role 868
        antimicrobial agent 236
          antifungal agent 78
            FR171456 0
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  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic group 393
                              organic divalent group 391
                                organodiyl group 391
                                  carbonyl group 390
                                    carbonyl compound 390
                                      ketone 183
                                        oxo steroid 52
                                          6-oxo steroid 0
                                            FR171456 0
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