CHEBI:73878 - hexadehydroastechrome

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ChEBI Name hexadehydroastechrome
ChEBI ID CHEBI:73878
Definition An iron(III) hydroxamate that is astechrome in which the 3-methylbut-2-en-1-yl groups have been oxidised to 3-methylbuta-1,3-dien-1-yl groups. First isolated from Aspergillus fumigatus.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C60H60FeN9O9
Net Charge 0
Average Mass 1107.01800
Monoisotopic Mass 1106.38634
InChI InChI=1S/3C20H20N3O3.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*5-9,11,21H,1,10H2,2-4H3;/q3*-1;+3/b3*9-8+;
InChIKey QRPYQNLMWIGUCP-VMBSUALFSA-N
SMILES COC1=C(Cc2c[nH]c3c(cccc23)\C=C\C(C)=C)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(cccc67)\C=C\C(C)=C)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(cccc56)\C=C\C(C)=C)=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 hexadehydroastechrome (CHEBI:73878) has functional parent astechrome (CHEBI:73877)
hexadehydroastechrome (CHEBI:73878) has role metabolite (CHEBI:25212)
hexadehydroastechrome (CHEBI:73878) is a indoles (CHEBI:24828)
hexadehydroastechrome (CHEBI:73878) is a iron(III) hydroxamate (CHEBI:28163)
hexadehydroastechrome (CHEBI:73878) is a pyrazines (CHEBI:38314)
IUPAC Name
tris[1-(hydroxy-κO)-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)pyrazin-2(1H)-onato-κO]iron
Synonyms Sources
ferric tris[5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)-2-oxopyrazin-1(2H)-olate] ChEBI
HAS ChEBI
iron(3+) tris[5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)-2-oxopyrazin-1(2H)-olate] IUPAC
Registry Number Type Source
23281925 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23360537 PubMed citation Europe PMC
Last Modified
22 December 2015