EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85499 - 4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one

ChEBI IDCHEBI:85499
ChEBI Name4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one
Stars
DefinitionAn acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 13-methyl-2-oxotetradecyl group.
Last Modified22 April 2015
Submitternhn
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C20H32O4/c1-16(2)11-9-7-5-3-4-6-8-10-12-17(21)13-19-14-18(22)15-20(23)24-19/h14-16,22H,3-13H2,1-2H3
InChIKeyPUYXSOZDOLDUCC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one (CHEBI:85499) is a 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one (CHEBI:85511)
IUPAC Name 
4-hydroxy-6-(13-methyl-2-oxotetradecyl)-2H-pyran-2-one
Synonym  Source
12-methyltridecanoyl tetraketide pyroneSUBMITTER
UniProt Name  Source
4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-oneUniProt
Registry NumbersSources
Reaxys:10194809Reaxys
Citations