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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        pharmaceutical 19491
          drug 19491
            antineoplastic agent 17757
              aspergillide A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  ester 17270
                                    carboxylic ester 16587
                                      lactone 12526
                                        macrocyclic lactone 5923
                                          macrolide 5862
                                            aspergillide A 0
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