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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:17:55 UTC
Update Date2022-03-07 02:54:06 UTC
HMDB IDHMDB0034455
Secondary Accession Numbers
  • HMDB34455
Metabolite Identification
Common NameExaltolide
DescriptionExaltolide belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Exaltolide is an animal, fruity, and musky tasting compound. Exaltolide has been detected, but not quantified in, a few different foods, such as fats and oils, green vegetables, and herbs and spices. This could make exaltolide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Exaltolide.
Structure
Thumb
Synonyms
Chemical FormulaC15H28O2
Average Molecular Weight240.3816
Monoisotopic Molecular Weight240.20893014
IUPAC Name1-oxacyclohexadecan-2-one
Traditional Nameexaltolide
CAS Registry Number106-02-5
SMILES
O=C1CCCCCCCCCCCCCCO1
InChI Identifier
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
InChI KeyFKUPPRZPSYCDRS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassMacrolides and analogues
Sub ClassNot Available
Direct ParentMacrolides and analogues
Alternative Parents
Substituents
  • Macrolide
  • Lactone
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • 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 DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point52 - 53 °CNot Available
Boiling Point137.00 °C. @ 2.00 mm HgThe Good Scents Company Information System
Water Solubility0.15 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP6.100The 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 IDFDB012864
KNApSAcK IDC00056404
Chemspider ID205386
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSynthetic musk
METLIN IDNot Available
PubChem Compound235414
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1004211
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.. .