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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 240
    role 240
      biological role 240
        antimicrobial agent 110
          monacolin J 0
            monacolin J acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 240
    subatomic particle 240
      composite particle 240
        hadron 240
          baryon 240
            nucleon 240
              atomic nucleus 240
                atom 240
                  main group element atom 233
                    p-block element atom 233
                      carbon group element atom 222
                        carbon atom 221
                          organic molecular entity 221
                            organic group 155
                              organic divalent group 154
                                organodiyl group 154
                                  carbonyl group 154
                                    carbonyl compound 154
                                      carboxylic ester 93
                                        lactone 34
                                          delta-lactone 1
                                            2-pyranones 1
                                              monacolin L 0
                                                monacolin J 0
                                                  monacolin J acid 0
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