EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85490 - 4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one

ChEBI IDCHEBI:85490
ChEBI Name4-hydroxy-6-(13-hydroxy-2-oxononadecyl)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-hydroxy-2-oxononadecyl group.
Last Modified23 April 2015
Submitternhn
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C24H40O5/c1-2-3-4-11-14-20(25)15-12-9-7-5-6-8-10-13-16-21(26)17-23-18-22(27)19-24(28)29-23/h18-20,25,27H,2-17H2,1H3
InChIKeyGSIGBTWKKXKRKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one (CHEBI:85490) is a 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one (CHEBI:85511)
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one (CHEBI:85490) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)-2H-pyran-2-one
Synonyms  Source
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-oneSUBMITTER
12-hydroxyoctadecanoyl tetraketide pyroneSUBMITTER
UniProt Name  Source
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-oneUniProt
Citations