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CHEBI:68322 - (E,Z)-bastadin 19

ChEBI IDCHEBI:68322
ChEBI Name(E,Z)-bastadin 19
Stars
ASCII Name(E,Z)-bastadin 19
DefinitionA macrocyclic lactam with oximo amide groups having a -E,Z configuration. Isolated from the marine sponge Ianthella, it has been shown to exhibit calcium channel modulatory activity.
Last Modified1 August 2013
DownloadsMolfile
FormulaC34H27Br5N4O8
Net Charge0
Average Mass1019.130
Monoisotopic Mass1013.77457
SMILESO=C1NCCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N/O
InChIInChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25-,43-26+
InChIKeyAHBBQQLIUBAPCY-HQTCRMEMSA-N
Species of MetaboliteComponentSourceComments
Ianthella (ncbitaxon:375145) - PubMed (21214221)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
calcium channel modulator  A membrane transport modulator that is able to regulate intracellular calcium levels.
ChEBI Ontology
Outgoing Relation(s)
(E,Z)-bastadin 19 (CHEBI:68322) has role calcium channel modulator (CHEBI:38808)
(E,Z)-bastadin 19 (CHEBI:68322) has role metabolite (CHEBI:25212)
(E,Z)-bastadin 19 (CHEBI:68322) is a cyclic ether (CHEBI:37407)
(E,Z)-bastadin 19 (CHEBI:68322) is a ketoxime (CHEBI:24983)
(E,Z)-bastadin 19 (CHEBI:68322) is a lactam (CHEBI:24995)
(E,Z)-bastadin 19 (CHEBI:68322) is a macrocycle (CHEBI:51026)
(E,Z)-bastadin 19 (CHEBI:68322) is a organobromine compound (CHEBI:37141)
(E,Z)-bastadin 19 (CHEBI:68322) is a polyphenol (CHEBI:26195)
IUPAC Name 
(12E,25Z)-5,16,21,32,36-pentabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione
Registry NumbersSources
Reaxys:20352968Reaxys
Citations