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CHEBI:142843 - deoxyspectinabilin

ChEBI IDCHEBI:142843
ChEBI Namedeoxyspectinabilin
Stars
DefinitionA 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.
Last Modified18 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H33NO5
Net Charge0
Average Mass463.574
Monoisotopic Mass463.23587
SMILESCOc1oc(CC/C(C)=C/C(C)=C/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C
InChIInChI=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+
InChIKeyDNKUZPCQKAFHJN-FUPFHJOOSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
deoxyspectinabilin (CHEBI:142843) has role bacterial metabolite (CHEBI:76969)
deoxyspectinabilin (CHEBI:142843) is a C-nitro compound (CHEBI:35716)
deoxyspectinabilin (CHEBI:142843) is a 4-pyranones (CHEBI:131906)
deoxyspectinabilin (CHEBI:142843) is a ketene acetal (CHEBI:145408)
deoxyspectinabilin (CHEBI:142843) is a polyketide (CHEBI:26188)
Incoming Relation(s)
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
UniProt Name  Source
deoxyspectinabilinUniProt
Manual XrefsDatabases
CPD-21836MetaCyc
Citations