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CHEBI:68321 - (E,E)-bastadin 19

ChEBI IDCHEBI:68321
ChEBI Name(E,E)-bastadin 19
Stars
ASCII Name(E,E)-bastadin 19
DefinitionA macrocyclic lactam with oximo amide groups having a -E,E 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-DCRHPOARSA-N
Species of MetaboliteComponentSourceComments
Ianthella (ncbitaxon:375145) - PubMed (21214221)
Roles Classification
Biological Roles:
calcium channel modulator  A membrane transport modulator that is able to regulate intracellular calcium levels.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(E,E)-bastadin 19 (CHEBI:68321) has role calcium channel modulator (CHEBI:38808)
(E,E)-bastadin 19 (CHEBI:68321) has role metabolite (CHEBI:25212)
(E,E)-bastadin 19 (CHEBI:68321) is a cyclic ether (CHEBI:37407)
(E,E)-bastadin 19 (CHEBI:68321) is a ketoxime (CHEBI:24983)
(E,E)-bastadin 19 (CHEBI:68321) is a lactam (CHEBI:24995)
(E,E)-bastadin 19 (CHEBI:68321) is a macrocycle (CHEBI:51026)
(E,E)-bastadin 19 (CHEBI:68321) is a organobromine compound (CHEBI:37141)
(E,E)-bastadin 19 (CHEBI:68321) is a polyphenol (CHEBI:26195)
IUPAC Name 
(12E,25E)-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
Synonym  Source
bastadin-19ChEBI
Registry NumbersSources
Reaxys:7406357Reaxys
Citations