CHEBI:81873 - 12-deoxynogalonic acid

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ChEBI Name 12-deoxynogalonic acid
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
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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)
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)
[4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
Manual Xrefs Databases
CPD-17516 MetaCyc
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Citation Waiting for Citations Type Source
20052967 PubMed citation Europe PMC
Last Modified
20 April 2015