Record Information
Version1.0
Creation date2010-04-08 22:05:38 UTC
Update date2020-04-21 18:02:58 UTC
Primary IDFDB003045
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHexacosanoic acid
DescriptionCerate consists essentially of wax (for which resin or spermaceti is sometimes substituted) mixed with oil, lard, and various medicinal ingredients. The cerate (formerly called simply cerate) of the United States Pharmacopoeia is a mixture of three parts of white wax and seven parts of lard.; Cerate is an unctuous preparation for external application, of a consistency intermediate between that of an ointment and a plaster, so that it can be spread upon cloth without the use of heat, but does not melt when applied to the skin.; X-linked adrenoleukodystrophy (X-ALD) is a peroxisomal disorder biochemically characterized by the accumulation of very long chain fatty acids (VLCFA), particularly hexacosanoic acid (C(26:0)) and tetracosanoic acid (C(24:0)), in tissues and biological fluids. (PMID 16750542). Hexacosanoic acid is found in many foods, some of which are fig, mung bean, cottonseed, and flaxseed.
CAS Number506-46-7
Structure
Thumb
Synonyms
SynonymSource
C26:0ChEBI
Ceratebiospider
Ceratinatebiospider
Ceratinic aciddb_source
Ceric aciddb_source
Cerinatebiospider
Cerinic aciddb_source
CerotateGenerator
Cerotic aciddb_source
Cerotic acid (6CI,7CI)biospider
Cerotinic acidbiospider
Cerylatebiospider
Cerylic acidbiospider
CH3-[CH2]24-COOHbiospider
EB 82Bdb_source
Hexacosanic acidbiospider
Hexacosanoatebiospider
hexacosanoate (n-C26:0)biospider
Hexacosanoic acid (8CI,9CI)biospider
HexacosansaeureChEBI
HexacosoateGenerator
Hexacosoic acidbiospider
HexaeicosanoateGenerator
Hexaeicosanoic acidChEBI
N-C26:0ChEBI
N-hexacosanoatebiospider
N-hexacosanoic acidbiospider
Predicted PropertiesNot Available
Chemical FormulaC26H52O2
IUPAC name
InChI IdentifierInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
InChI KeyXMHIUKTWLZUKEX-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Average Molecular Weight396.6899
Monoisotopic Molecular Weight396.396730908
Classification
ClassificationNot classified
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 78.72%; H 13.21%; O 8.07%DFC
Melting PointMp 88-89°DFC
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-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID10037
ChEMBL IDCHEMBL464787
KEGG Compound IDNot Available
Pubchem Compound ID10469
Pubchem Substance IDNot Available
ChEBI ID31009
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02356
CRC / DFC (Dictionary of Food Compounds) IDCQC83-M:CQC83-M
EAFUS IDNot Available
Dr. Duke IDHEXACOSANOIC-ACID|CEROTIC-ACID|CEROTINIC-ACID
BIGG ID1459812
KNApSAcK IDC00035114
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDCerate
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
Pathways
NameSMPDB LinkKEGG Link
Beta Oxidation of Very Long Chain Fatty AcidsSMP00052 map01040
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).