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CHEBI:149708 - 2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate

ChEBI IDCHEBI:149708
ChEBI Name2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate
Stars
ASCII Name2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H30NO3
Net Charge-1
Average Mass392.519
Monoisotopic Mass392.22312
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c([O-])cc(-c2cccnc2)oc1=O
InChIInChI=1S/C25H31NO3/c1-18(2)8-5-9-19(3)10-6-11-20(4)13-14-22-23(27)16-24(29-25(22)28)21-12-7-15-26-17-21/h7-8,10,12-13,15-17,27H,5-6,9,11,14H2,1-4H3/p-1/b19-10+,20-13+
InChIKeyZNJZUQFWKYQGPY-OPBVARBZSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate (CHEBI:149708) is a phenolate (CHEBI:50526)
UniProt Name  Source
4-hydroxy-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-2-oneUniProt
Citations