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hexadehydroastechrome

Go to external page http://purl.obolibrary.org/obo/CHEBI_73878

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.

Term info

Label

hexadehydroastechrome

Synonyms
  • tris[1-(hydroxy-kappaO)-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)pyrazin-2(1H)-onato-kappaO]iron
database cross reference
Subsets

3_STAR

IUPAC NAME
tris[1-(hydroxy-kappaO)-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)pyrazin-2(1H)-onato-kappaO]iron [ IUPAC ]

charge

0

formula

C60H60FeN9O9

has obo namespace

chebi_ontology

has related synonym

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], HAS, 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]

id

CHEBI:73878

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

mass

1107.01800

monoisotopicmass

1106.38634

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