CHEBI:73877 - astechrome

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ChEBI Name astechrome
ChEBI ID CHEBI:73877
Definition An iron(III) hydroxamate based pigment isolated from Aspergillus terreus and later found in Aspergillus fumigatus.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C60H66FeN9O9
Net Charge 0
Average Mass 1113.06600
Monoisotopic Mass 1112.43329
InChI InChI=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
InChIKey OEPBYEBLOCELCQ-UHFFFAOYSA-N
SMILES COC1=C(Cc2c[nH]c3c(CC=C(C)C)cccc23)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(CC=C(C)C)cccc67)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(CC=C(C)C)cccc56)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1
Roles Classification
Biological Role(s): 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.
(via iron(III) hydroxamate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
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
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
Registry Number Type Source
23281931 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23360537 PubMed citation Europe PMC
Last Modified
03 June 2013
General Comment
2013-05-31 For a total synthesis, see A. Ohta et al., Chem. Pharm. Bull., 1994, v42(2), 277-279.