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aspergillide A - Ontology Report - Rat Genome Database

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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:aspergillide A
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Accession:CHEBI:65450 term browser browse the term
Definition:A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
Synonyms:exact_synonym: (1R,5S,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one
 related_synonym: Formula=C14H22O4;   InChI=1S/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11-,12-,13+/m0/s1;   InChIKey=FDJDTDDUDZAAFP-GDHSIMSHSA-N;   SMILES=[H][C@@]12CC[C@H](O)[C@@]([H])(CC(=O)O[C@@H](C)CCC\\C=C\\1)O2
 xref: PMID:18078344;   PMID:20141226;   PMID:21064045;   PMID:21207589;   PMID:21370350;   Reaxys:19982176

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  CHEBI ontology 20845
    role 20805
      application 20606
        pharmaceutical 20401
          drug 20401
            antineoplastic agent 18041
              aspergillide A 0
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  ester 17771
                                    carboxylic ester 17149
                                      lactone 13357
                                        macrocyclic lactone 7616
                                          macrolide 7564
                                            aspergillide A 0
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