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CHEBI:69838 - aerothionin

ChEBI IDCHEBI:69838
ChEBI Nameaerothionin
Stars
DefinitionA natural product found in Suberea mollis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H26Br4N4O8
Net Charge0
Average Mass818.108
Monoisotopic Mass813.84841
SMILESCOC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2
InChIInChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1
InChIKeyBJWQSQOWGBUSFC-UWXQAFAOSA-N
Species of MetaboliteComponentSourceComments
Suberea mollis (WORMS:169627) - PubMed (21542602) EtOH extract of frozen sponge
Roles Classification
Biological Role:
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)
aerothionin (CHEBI:69838) has role metabolite (CHEBI:25212)
aerothionin (CHEBI:69838) is a isoxazoles (CHEBI:55373)
Synonym  Source
(5S,10R,5'S,10'R)-N,N'-butane-1,4-diylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)ChEBI
Citations