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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:monacolin J acid
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Accession:CHEBI:82971 term browser browse the term
Definition:A polyketide obtained by hydrolysis of the pyranone ring of monacolin J.
Synonyms:exact_synonym: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
 related_synonym: Formula=C19H30O5;   InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1;   InChIKey=FJQFRDAWQRBFCG-IRUSZSJRSA-N;   SMILES=C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1
 xref: PMID:17625941;   PMID:19875080;   PMID:21495633;   PMID:3839227;   Reaxys:9437849
 cyclic_relationship: is_conjugate_acid_of CHEBI:79035


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        antimicrobial agent 17373
          monacolin J 0
            monacolin J acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic ester 15511
                                        lactone 9717
                                          delta-lactone 3831
                                            2-pyranones 749
                                              monacolin L 0
                                                monacolin J 0
                                                  monacolin J acid 0
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