CHEBI:81873 - 12-deoxynogalonic acid

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ChEBI Name 12-deoxynogalonic acid ChEBI ID CHEBI:81873 Definition A member of the class of anthraquinones that is 10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid bearing two additional hydroxy substituents at positions 4 and 5. An intermediate in the biosynthesis of nogalamycin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H16O7 Net Charge 0 Average Mass 368.33680 Monoisotopic Mass 368.08960 InChI InChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25) InChIKey YUGKGSBEHZYJDB-UHFFFAOYSA-N SMILES CC(=O)CC(=O)c1c(CC(O)=O)cc2Cc3cccc(O)c3C(=O)c2c1O Metabolite of Species Details Streptomyces nogalater (NCBI:txid38314) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 12-deoxynogalonic acid (CHEBI:81873) has functional parent anthrone (CHEBI:33835) 12-deoxynogalonic acid (CHEBI:81873) has role bacterial metabolite (CHEBI:76969) 12-deoxynogalonic acid (CHEBI:81873) is a anthracenes (CHEBI:46955) 12-deoxynogalonic acid (CHEBI:81873) is a aromatic ketone (CHEBI:76224) 12-deoxynogalonic acid (CHEBI:81873) is a cyclic ketone (CHEBI:3992) 12-deoxynogalonic acid (CHEBI:81873) is a oxo monocarboxylic acid (CHEBI:35871) 12-deoxynogalonic acid (CHEBI:81873) is a polyketide (CHEBI:26188) 12-deoxynogalonic acid (CHEBI:81873) is a polyphenol (CHEBI:26195) 12-deoxynogalonic acid (CHEBI:81873) is conjugate acid of 12-deoxynogalonate(1−) (CHEBI:84900) Incoming 12-deoxynogalonate(1−) (CHEBI:84900) is conjugate base of 12-deoxynogalonic acid (CHEBI:81873) IUPAC Name [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid Manual Xrefs Databases C18629 KEGG COMPOUND CPD-17516 MetaCyc View more database links Citation Type Source 20052967 PubMed citation Europe PMC Last Modified 20 April 2015