Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 07:16:36 UTC
Update Date2022-08-31 06:41:27 UTC
Metabolite IDMMDBc0016688
Metabolite Identification
Common Name3-hydroxy-2-(hydroxymethyl)-4-pentadecanoyl-2H-furan-5-one
DescriptionAC1L9SK0 belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. AC1L9SK0 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC20H34O5
Average Mass354.487
Monoisotopic Mass354.240624195
IUPAC Name4-hydroxy-5-(hydroxymethyl)-3-pentadecanoyl-2,5-dihydrofuran-2-one
Traditional Name4-hydroxy-5-(hydroxymethyl)-3-pentadecanoyl-5H-furan-2-one
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCC(=O)C1=C(O)C(CO)OC1=O
InChI Identifier
InChI=1S/C20H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(22)18-19(23)17(15-21)25-20(18)24/h17,21,23H,2-15H2,1H3
InChI KeyZEPMOPDHHDRDEK-UHFFFAOYSA-N