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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:40:34 UTC
Update Date2022-03-07 02:52:48 UTC
HMDB IDHMDB0031036
Secondary Accession Numbers
  • HMDB31036
Metabolite Identification
Common NamePalmitone
DescriptionPalmitone, also known as 16-hentriacontane, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, palmitone is considered to be an oxygenated hydrocarbon. Palmitone has been detected, but not quantified in, a few different foods, such as herbs and spices, pepper (spice), and potatos (Solanum tuberosum). This could make palmitone a potential biomarker for the consumption of these foods. Palmitone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Palmitone.
Structure
Data?1563862073
Synonyms
ValueSource
16-HentriacontanoneChEBI
Dipentadecyl ketoneChEBI
16-HentriacontaneMeSH
PalmitoneChEBI
16-HEBTRIACONTANONEHMDB
HebtriacontanoneHMDB
Hentricontan-16-oneHMDB
Pentadecyl ketoneHMDB
Chemical FormulaC31H62O
Average Molecular Weight450.8234
Monoisotopic Molecular Weight450.480066606
IUPAC Namehentriacontan-16-one
Traditional Namepalmitone
CAS Registry Number502-73-8
SMILES
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChI KeyUNRFDARCMOHDBJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentKetones
Alternative Parents
Substituents
  • Ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point82 - 83 °CNot Available
Boiling Point499.46 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility4.2e-09 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP14.224 (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 IDFDB003030
KNApSAcK IDC00001253
Chemspider ID85480
KEGG Compound IDC08379
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound94741
PDB IDNot Available
ChEBI ID5658
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1456561
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Shanker KS, Kanjilal S, Rao BV, Kishore KH, Misra S, Prasad RB: Isolation and antimicrobial evaluation of isomeric hydroxy ketones in leaf cuticular waxes of Annona squamosa. Phytochem Anal. 2007 Jan-Feb;18(1):7-12. [PubMed:17260693 ]
  2. Gonzalez-Trujano ME, Lopez-Meraz L, Reyes-Ramirez A, Aguillon M, Martinez A: Effect of repeated administration of Annona diversifolia Saff. (ilama) extracts and palmitone on rat amygdala kindling. Epilepsy Behav. 2009 Dec;16(4):590-5. doi: 10.1016/j.yebeh.2009.09.018. [PubMed:19836312 ]
  3. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .