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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:20:19 UTC
Update Date2022-03-07 02:55:37 UTC
HMDB IDHMDB0038056
Secondary Accession Numbers
  • HMDB38056
Metabolite Identification
Common Namedelta-Tetradecalactone
Descriptiondelta-Tetradecalactone belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Thus, delta-tetradecalactone is considered to be a fatty ester. delta-Tetradecalactone is a sweet, creamy, and dairy tasting compound. delta-Tetradecalactone has been detected, but not quantified in, several different foods, such as blackberries (Rubus), evergreen blackberries (Rubus laciniatus), fats and oils, and milk and milk products. This could make delta-tetradecalactone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on delta-Tetradecalactone.
Structure
Thumb
Synonyms
ValueSource
Δ-tetradecalactoneGenerator
5-Hydroxytetradecanoic acid delta-lactoneHMDB
5-TetradecanolideHMDB
6-nonyltetrahydro-2H-Pyran-2-oneHMDB
D-TetradecalactoneHMDB
delta-TetradecanolideHMDB
laquo deltaraquo -Nonyl-laquo deltaraquo -valeralactoneHMDB
laquo deltaraquo -TetradecaiactoneHMDB
laquo deltaraquo -TetradecalactoneHMDB
tetrahydro-6-Nonyl-2H-pyran-2-oneHMDB
tetrahydro-6-Nonyl-2H-pyran-2-one, 9ciHMDB
Δ-nonyl-valeralactoneGenerator
Chemical FormulaC14H26O2
Average Molecular Weight226.355
Monoisotopic Molecular Weight226.193280076
IUPAC Name6-nonyloxan-2-one
Traditional Name6-nonyloxan-2-one
CAS Registry Number2721-22-4
SMILES
CCCCCCCCCC1CCCC(=O)O1
InChI Identifier
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
InChI KeySKQYTJLYRIFFCO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassDelta valerolactones
Direct ParentDelta valerolactones
Alternative Parents
Substituents
  • Delta_valerolactone
  • Delta valerolactone
  • Oxane
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point14 °CNot Available
Boiling Point130.00 to 135.00 °C. @ 5.00 mm HgThe Good Scents Company Information System
Water Solubility4.29 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.507 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017267
KNApSAcK IDNot Available
Chemspider ID453840
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound520296
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1029461
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .