Record Information
Version1.0
Creation date2010-04-08 22:13:13 UTC
Update date2019-11-26 03:14:59 UTC
Primary IDFDB017636
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCetyl myristoleate
DescriptionIsolated from rice. Food supplement As Diehl got older, he began to experience some osteoarthritis in his hands, knees, and the heels of his feet. His family physician tried the usual regimen of cortisone and non-steroidal anti-inflammatory drugs without much effect on the course of the disease. Finally his physician told Harry he could not have any more cortisone. "So," Diehl said, "I thought about my discovery, and I decided to make a batch and use it on myself. " He did, and the symptoms of osteo-arthritis disappeared. Cetyl myristoleate appeared on the market as a supplement in 1991. Although not as well known as glucosamine and/or chondroitin, there is a growing awareness that cetyl myristoleate equals or surpasses them in the treatment of the body pains brought on by various maladies such as bursitis, gout, osteoarthritis, rheumatoid arthritis, fibromyalgia, and sports related injuries. Cetyl myristoleate is found in cereals and cereal products.
CAS Number64660-84-0
Structure
Thumb
Synonyms
SynonymSource
Cetyl myristoleic acidGenerator
cis-9-CetylmyristoleateMeSH
CMOHMDB
Hexadecyl ester(Z)-9-tetradecenoic acidHMDB
Palmityl myristoleic acidGenerator
Cetyl myristoleateMeSH
9-Tetradecenoic acid, hexadecyl ester, (Z)-biospider
Predicted Properties
PropertyValueSource
Water Solubility7.1e-06 g/LALOGPS
logP10.52ALOGPS
logP11.81ChemAxon
logS-7.8ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count27ChemAxon
Refractivity142.85 m³·mol⁻¹ChemAxon
Polarizability62.5 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC30H58O2
IUPAC namehexadecyl (9Z)-tetradec-9-enoate
InChI IdentifierInChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12H,3-9,11,13-29H2,1-2H3/b12-10-
InChI KeyDYIOQMKBBPSAFY-BENRWUELSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCC
Average Molecular Weight450.7803
Monoisotopic Molecular Weight450.4436811
Classification
Description Belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentWax monoesters
Alternative Parents
Substituents
  • Wax monoester skeleton
  • Fatty alcohol ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 79.93%; H 12.97%; O 7.10%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSCetyl myristoleate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0a6r-4697200000-c733c4f07c5bb18d6611Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0062900000-2642dbe43554d029b811Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-2592100000-f2b26e41def80d5e04aaSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004l-8965000000-a8b049efd5b97c485915Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-052b-0090700000-daf847e77976194cdd38Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-0090100000-b413df62700973e6c2edSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-6190000000-f2176280d00cc12df81eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0030900000-940b905ce859cb7b92a7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0080900000-74be4c4d3c66500bacefSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a6r-2970000000-4d5453f52f6a11db2d3cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-3121900000-90330c9c4883e4868120Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0kur-9412400000-d28766b6677fbc7949a7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9110000000-14d1a107b0eb4746a287Spectrum
NMRNot Available
ChemSpider ID4947787
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6443825
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB38307
CRC / DFC (Dictionary of Food Compounds) IDCPB82-Z:KYN24-M
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDCetyl_myristoleate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference