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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:leucascandrolide A congener
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Accession:CHEBI:82622 term browser browse the term
Definition:A synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties.
Synonyms:exact_synonym: (1S,3R,5R,7R,9R,13S,15S)-3-methoxy-11-oxo-13-pentyl-12,19,20-trioxatricyclo[13.3.1.1(5,9)]icos-7-yl (2Z)-5-(2-{(1Z)-3-[(methoxycarbonyl)amino]prop-1-en-1-yl}-1,3-oxazol-4-yl)pent-2-enoate
 related_synonym: Formula=C36H54N2O10;   InChI=1S/C36H54N2O10/c1-4-5-6-12-28-18-26-13-9-14-27(45-26)19-29(42-2)20-30-21-31(22-32(46-30)23-35(40)47-28)48-34(39)16-8-7-11-25-24-44-33(38-25)15-10-17-37-36(41)43-3/h8,10,15-16,24,26-32H,4-7,9,11-14,17-23H2,1-3H3,(H,37,41)/b15-10-,16-8-/t26-,27-,28-,29+,30+,31+,32+/m0/s1;   InChIKey=OHDYRIXQCGVPSA-HTNAZZBXSA-N;   SMILES=CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@H](C[C@@H]3C[C@H](C[C@H](CC(=O)O1)O3)OC(=O)\\C=C/CCc1coc(\\C=C/CNC(=O)OC)n1)OC)O2
 xref: PMID:18516048


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  CHEBI ontology 21552
    role 21530
      biological role 21528
        antimicrobial agent 18322
          antifungal agent 15305
            leucascandrolide A congener 0
Path 2
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  CHEBI ontology 21552
    subatomic particle 21537
      composite particle 21537
        hadron 21537
          baryon 21537
            nucleon 21537
              atomic nucleus 21537
                atom 21537
                  main group element atom 21442
                    p-block element atom 21442
                      carbon group element atom 21235
                        carbon atom 21133
                          organic molecular entity 21133
                            organic group 19572
                              organic divalent group 19562
                                organodiyl group 19562
                                  carbonyl group 19543
                                    carbonyl compound 19543
                                      carboxylic ester 14697
                                        lactone 6052
                                          macrocyclic lactone 1758
                                            macrolide 1626
                                              leucascandrolide A congener 0
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