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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:47:44 UTC
Update Date2022-03-07 02:55:23 UTC
HMDB IDHMDB0037543
Secondary Accession Numbers
  • HMDB37543
Metabolite Identification
Common Name(±)-(Z)-2-(5-Tetradecenyl)cyclobutanone
Description(±)-(Z)-2-(5-Tetradecenyl)cyclobutanone belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Based on a literature review very few articles have been published on (±)-(Z)-2-(5-Tetradecenyl)cyclobutanone.
Structure
Data?1563863048
SynonymsNot Available
Chemical FormulaC18H32O
Average Molecular Weight264.4461
Monoisotopic Molecular Weight264.245315646
IUPAC Name2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one
Traditional Name2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one
CAS Registry Number173074-85-6
SMILES
CCCCCCCC\C=C/CCCCC1CCC1=O
InChI Identifier
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChI KeyITFDRFJPWYWSMZ-KTKRTIGZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentCyclic ketones
Alternative Parents
Substituents
  • Cyclic ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point25 - 26 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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 IDFDB016625
KNApSAcK IDNot Available
Chemspider ID9000840
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10825540
PDB IDNot Available
ChEBI ID172506
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .