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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:bastadin 4
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Accession:CHEBI:68325 term browser browse the term
Definition:A macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity.
Synonyms:exact_synonym: (8E,12E,25E)-4,16,21,31,36-pentabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2(20,23).1(3,7).1(14,18)]octatriaconta-1(32),3(38),4,6,8,14(37),15,17,20,22,30,33,35-tridecaene-11,26-dione
 related_synonym: Formula=C34H25Br5N4O8;   InChI=1S/C34H25Br5N4O8/c35-20-3-1-16-5-7-40-33(46)25(43-49)13-18-9-21(36)30(44)28(15-18)51-32-22(37)10-17(11-23(32)38)12-24(42-48)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-5,7,9-11,14-15,44-45,48-49H,6,8,12-13H2,(H,40,46)(H,41,47)/b7-5+,42-24+,43-25+;   InChIKey=NWOWVTKBRVUTEE-PBUNXQQKSA-N;   SMILES=O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(C(=O)N\\C=C\\c4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4)=N/O)cc(Br)c3O)c(Br)c2
 xref: PMID:21214221;   Reaxys:18860975


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26496
    role 26318
      biological role 26297
        biochemical role 25508
          metabolite 25444
            bastadin 4 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26496
    subatomic particle 26472
      composite particle 26472
        hadron 26472
          baryon 26472
            nucleon 26472
              atomic nucleus 26472
                atom 26472
                  main group element atom 26208
                    p-block element atom 26208
                      carbon group element atom 25651
                        carbon atom 25613
                          organic molecular entity 25613
                            heteroorganic entity 24994
                              organochalcogen compound 24590
                                organooxygen compound 24184
                                  carbon oxoacid 22798
                                    carboxylic acid 22778
                                      carboacyl group 20070
                                        univalent carboacyl group 20070
                                          carbamoyl group 19594
                                            carboxamide 19594
                                              lactam 8849
                                                bastadin 4 0
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