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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 0
    role 0
      biological role 0
        antimicrobial agent 0
          monacolin J 0
            monacolin J acid 0
Path 2
Term Annotations click to browse term
  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
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic ester 0
                                        lactone 0
                                          delta-lactone 0
                                            2-pyranones 0
                                              monacolin L 0
                                                monacolin J 0
                                                  monacolin J acid 0
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