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CHEBI:73877 - astechrome

ChEBI IDCHEBI:73877
ChEBI Nameastechrome
Stars
DefinitionAn iron(III) hydroxamate based pigment isolated from Aspergillus terreus and later found in Aspergillus fumigatus.
Last Modified3 June 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC60H66FeN9O9
Net Charge0
Average Mass1113.087
Monoisotopic Mass1112.43329
SMILESCOC1=C(Cc2cnc3c(CC=C(C)C)cccc23)N2[O][Fe-3]34([O]N5C(=[O+]3)C(C)=NC(OC)=C5Cc3cnc5c(CC=C(C)C)cccc35)([O]N3C(=[O+]4)C(C)=NC(OC)=C3Cc3cnc4c(CC=C(C)C)cccc34)[O+]=C2C(C)=N1
InChIInChI=1S/3C20H22N3O3.Fe/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25;/h3*5-8,11,21H,9-10H2,1-4H3;/q3*-1;+3
InChIKeyOEPBYEBLOCELCQ-UHFFFAOYSA-N
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.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
astechrome (CHEBI:73877) has role metabolite (CHEBI:25212)
astechrome (CHEBI:73877) is a indoles (CHEBI:24828)
astechrome (CHEBI:73877) is a iron(III) hydroxamate (CHEBI:28163)
astechrome (CHEBI:73877) is a pyrazines (CHEBI:38314)
Incoming Relation(s)
hexadehydroastechrome (CHEBI:73878) has functional parent astechrome (CHEBI:73877)
IUPAC Name 
tris[1-(hydroxy-κO)-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrazin-2(1N)-onato-κO]iron
Synonyms  Source
iron(3+) tris[5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2-oxopyrazin-1(2H)-olate]IUPAC
ferric tris[5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2-oxopyrazin-1(2H)-olate]ChEBI
Registry NumbersSources
Reaxys:23281931Reaxys
Citations