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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:andrastin A
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Accession:CHEBI:142842 term browser browse the term
Definition:A 19-oxo steroid that is that is andrastin B in which the hydroxy group at position 19 has been oxidised to give the corresponding aldehyde. A farnesyltransferase inhibitor produced by Penicillium roqueforti, a filamentous fungus involved in the ripening of several kinds of blue cheeses.
Synonyms:exact_synonym: methyl 3beta-acetoxy-15-hydroxy-4,4,8alpha,12,16-pentamethyl-17,19-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate
 related_synonym: Formula=C28H38O7;   InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,18-20,32H,9-12H2,1-8H3/t18-,19-,20+,25+,26+,27+,28-/m1/s1;   InChIKey=SNSSSENJBPCLPM-OXILWVMOSA-N;   SMILES=C1C[C@@H](C([C@@]2([C@@]1([C@]3([C@](CC2)([C@]4([C@@](C(=C3)C)(C(C(=C4O)C)=O)C)C(OC)=O)C)[H])C=O)[H])(C)C)OC(C)=O;   methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxoandrosta-11,15-diene-14-carboxylate
 xref: CAS:174232-42-9
 xref_mesh: MESH:C100395
 xref: PMID:16279417;   PMID:19837474;   PMID:26731665;   PMID:28529508;   PMID:28799296;   PMID:29270163;   PMID:29853169;   PMID:8682716;   PMID:8682717;   PMID:9531989;   Wikipedia:Andrastin_A
 cyclic_relationship: is_conjugate_acid_of CHEBI:142823

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  CHEBI ontology 0
    role 0
      application 0
        fuel 0
          methanol 0
            methyl ester 0
              andrastin A 0
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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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          formyl group 0
                                            aldehyde 0
                                              steroid aldehyde 0
                                                andrastin A 0
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