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CHEBI:68323 - bastadin 5

Default Structure
ChEBI IDCHEBI:68323
ChEBI Namebastadin 5
Stars
DefinitionA macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity.
Last Modified22 July 2013
DownloadsMolfile
FormulaC34H27Br5N4O8
Net Charge0
Average Mass1019.130
Monoisotopic Mass1013.77457
SMILESO=C1NCCc2ccc(Br)c(c2)Oc2ccc(c(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O
InChIInChI=1S/C34H27Br5N4O8/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/h1-4,9-11,14-15,44-45,48-49H,5-8,12-13H2,(H,40,46)(H,41,47)/b42-24+,43-25+
InChIKeyRINLQEBBENMFQH-FFVIWPAXSA-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)
bastadin 5 (CHEBI:68323) has role calcium channel modulator (CHEBI:38808)
bastadin 5 (CHEBI:68323) has role metabolite (CHEBI:25212)
bastadin 5 (CHEBI:68323) is a cyclic ether (CHEBI:37407)
bastadin 5 (CHEBI:68323) is a ketoxime (CHEBI:24983)
bastadin 5 (CHEBI:68323) is a lactam (CHEBI:24995)
bastadin 5 (CHEBI:68323) is a macrocycle (CHEBI:51026)
bastadin 5 (CHEBI:68323) is a organobromine compound (CHEBI:37141)
bastadin 5 (CHEBI:68323) is a polyphenol (CHEBI:26195)
IUPAC Name 
(12E,25E)-4,16,21,31,36-pentabromo-17,32-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
Synonyms  Source
2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 5,16,21,32,36-pentabromo-4,20-dihydroxy-, 12,25-dioximeChemIDplus
bastadin-5ChEBI
Registry NumbersSources
Reaxys:4226459Reaxys
CAS:79067-75-7ChemIDplus
Citations