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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 B
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Accession:CHEBI:65451 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 1S,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: (1S,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-NPZYAQMBSA-N;   SMILES=[H][C@@]12CC[C@H](O)[C@]([H])(CC(=O)O[C@@H](C)CCC\\C=C\\1)O2
 xref: PMID:19661704;   PMID:21064045;   PMID:21207589;   PMID:21370350;   PMID:22356535;   Reaxys:15805984


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  CHEBI ontology 19898
    role 19868
      application 19714
        pharmaceutical 19550
          drug 19550
            antineoplastic agent 17830
              aspergillide B 0
Path 2
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  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  ester 17474
                                    carboxylic ester 16758
                                      lactone 13308
                                        macrocyclic lactone 7585
                                          macrolide 7533
                                            aspergillide B 0
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