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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 19915
    role 19885
      biological role 19883
        biochemical role 19566
          metabolite 19570
            bastadin 4 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19542
                              organochalcogen compound 19302
                                organooxygen compound 19218
                                  carbon oxoacid 18664
                                    carboxylic acid 18661
                                      carboacyl group 17700
                                        univalent carboacyl group 17700
                                          carbamoyl group 17551
                                            carboxamide 17581
                                              lactam 8395
                                                bastadin 4 0
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