Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:47:54 UTC
Update Date2024-10-17 03:13:11 UTC
Metabolite IDMMDBc0033422
Metabolite Identification
Common Name3-Methylbutyl pentadecanoate
Description3-Methylbutyl pentadecanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 3-Methylbutyl pentadecanoate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
3-Methylbutyl pentadecanoic acidGenerator
Molecular FormulaC20H40O2
Average Mass312.5304
Monoisotopic Mass312.302830524
IUPAC Name3-methylbutyl pentadecanoate
Traditional Name3-methylbutyl pentadecanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCC(=O)OCCC(C)C
InChI Identifier
InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(21)22-18-17-19(2)3/h19H,4-18H2,1-3H3
InChI KeyOTEMMEILUZWZME-UHFFFAOYSA-N