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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 21727
    role 21705
      biological role 21703
        antimicrobial agent 18336
          monacolin J 0
            monacolin J acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21727
    subatomic particle 21713
      composite particle 21713
        hadron 21713
          baryon 21713
            nucleon 21713
              atomic nucleus 21713
                atom 21713
                  main group element atom 21629
                    p-block element atom 21629
                      carbon group element atom 21434
                        carbon atom 21334
                          organic molecular entity 21334
                            organic group 19894
                              organic divalent group 19881
                                organodiyl group 19881
                                  carbonyl group 19864
                                    carbonyl compound 19864
                                      carboxylic ester 16182
                                        lactone 10225
                                          delta-lactone 3836
                                            2-pyranones 752
                                              monacolin L 0
                                                monacolin J 0
                                                  monacolin J acid 0
paths to the root