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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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Term Annotations click to browse term
  CHEBI ontology 22276
    role 22261
      biological role 22260
        biochemical role 21480
          metabolite 21429
            bastadin 4 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22276
    subatomic particle 22271
      composite particle 22271
        hadron 22271
          baryon 22271
            nucleon 22271
              atomic nucleus 22271
                atom 22271
                  main group element atom 22150
                    p-block element atom 22150
                      carbon group element atom 21953
                        carbon atom 21893
                          organic molecular entity 21893
                            heteroorganic entity 21532
                              organochalcogen compound 21029
                                organooxygen compound 20877
                                  carbon oxoacid 19627
                                    carboxylic acid 19623
                                      carboacyl group 18287
                                        univalent carboacyl group 18287
                                          carbamoyl group 18107
                                            carboxamide 18107
                                              lactam 8460
                                                bastadin 4 0
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