CHEBI:142843 - deoxyspectinabilin

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ChEBI Name deoxyspectinabilin
ChEBI ID CHEBI:142843
Definition A member of the class of 4-pyranones that is 2-methoxy-3,5-dimethylpyran-4-one which is substituted at position 6 by a [(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl] group. The immediate precursor of the Streptomyces spectabilis metabolite spectinabilin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C28H33NO5
Net Charge 0
Average Mass 463.574
Monoisotopic Mass 463.23587
InChI InChI=1S/C28H33NO5/c1-18(8-13-26-22(5)27(30)23(6)28(33-7)34-26)14-19(2)15-20(3)16-21(4)17-24-9-11-25(12-10-24)29(31)32/h9-12,14-17H,8,13H2,1-7H3/b18-14+,19-15+,20-16+,21-17+
InChIKey DNKUZPCQKAFHJN-FUPFHJOOSA-N
SMILES C1=CC(=CC=C1/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/CCC2=C(C(C(=C(O2)OC)C)=O)C)[N+]([O-])=O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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ChEBI Ontology
Outgoing deoxyspectinabilin (CHEBI:142843) has role bacterial metabolite (CHEBI:76969)
deoxyspectinabilin (CHEBI:142843) is a 4-pyranones (CHEBI:131906)
deoxyspectinabilin (CHEBI:142843) is a C-nitro compound (CHEBI:35716)
deoxyspectinabilin (CHEBI:142843) is a ketene acetal (CHEBI:145408)
deoxyspectinabilin (CHEBI:142843) is a polyketide (CHEBI:26188)
Incoming demethyldeoxyspectinabilin (CHEBI:142931) has functional parent deoxyspectinabilin (CHEBI:142843)
spectinabilin (CHEBI:142841) has functional parent deoxyspectinabilin (CHEBI:142843)
IUPAC Name
2-methoxy-3,5-dimethyl-6-[(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl]-4H-pyran-4-one
Synonym Source
deoxyspectinabilin UniProt
Manual Xref Database
CPD-21836 MetaCyc
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Citations Waiting for Citations Types Sources
17763486 PubMed citation SUBMITTER
20094652 PubMed citation Europe PMC
Last Modified
18 November 2019