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CHEBI:219798 - 3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-furan-5-one

ChEBI IDCHEBI:219798
ChEBI Name3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-furan-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O5
Net Charge0
Average Mass382.541
Monoisotopic Mass382.27192
SMILESCCC(C)CCCCCCCCCCCCC(=O)C1=C(O)C(CO)OC1=O
InChIInChI=1S/C22H38O5/c1-3-17(2)14-12-10-8-6-4-5-7-9-11-13-15-18(24)20-21(25)19(16-23)27-22(20)26/h17,19,23,25H,3-16H2,1-2H3
InChIKeyJMYQJDUUCSPPND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8150707)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-furan-5-one (CHEBI:219798) is a butenolide (CHEBI:50523)
IUPAC Name 
3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-uran-5-one
Manual XrefsDatabases
78434900ChemSpider