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CHEBI:68325 - bastadin 4

ChEBI IDCHEBI:68325
ChEBI Namebastadin 4
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
FormulaC34H25Br5N4O8
Net Charge0
Average Mass1017.114
Monoisotopic Mass1011.75892
SMILESO=C1N/C=C/c2ccc(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/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+
InChIKeyNWOWVTKBRVUTEE-PBUNXQQKSA-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)
bastadin 4 (CHEBI:68325) has role calcium channel modulator (CHEBI:38808)
bastadin 4 (CHEBI:68325) has role metabolite (CHEBI:25212)
bastadin 4 (CHEBI:68325) is a cyclic ether (CHEBI:37407)
bastadin 4 (CHEBI:68325) is a ketoxime (CHEBI:24983)
bastadin 4 (CHEBI:68325) is a lactam (CHEBI:24995)
bastadin 4 (CHEBI:68325) is a macrocycle (CHEBI:51026)
bastadin 4 (CHEBI:68325) is a organobromine compound (CHEBI:37141)
bastadin 4 (CHEBI:68325) is a polyphenol (CHEBI:26195)
IUPAC Name 
(8E,12E,25E)-4,16,21,31,36-pentabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,8,14(37),15,17,20,22,30,33,35-tridecaene-11,26-dione
Registry NumbersSources
Reaxys:18860975Reaxys
Citations