| Common Name |
Hexacosanal
| Description |
Hexacosanal is found in fruits. Hexacosanal is isolated from Vitis vinifera var. slitanaHexacosanal belongs to the family of Fatty Aldehydes. These are ong chain aldehydes with a chain of at least 12 carbon atoms.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29695 (Hexacosanal)
| Synonyms |
| Value |
Source |
1-HexacosanalChEBI
CeraldehydeChEBI
N-Hexacosan-1-alChEBI
N-HexacosanalChEBI
| Chemical Formlia |
C26H52O
| Average Molecliar Weight |
380.6905
| Monoisotopic Molecliar Weight |
380.401816286
| IUPAC Name |
hexacosanal
| Traditional Name |
cerotoyl
| CAS Registry Number |
26627-85-0
| SMILES |
CCCCCCCCCCCCCCCCCCCCCCCCCC=O
| InChI Identifier |
InChI=1S/C26H52O/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/h26H,2-25H2,1H3
| InChI Key |
QAXXQMIHMLTJQI-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms.
| Kingdom |
Organic compounds
| Super Class |
Lipids and lipid-like moleclies
| Class |
Fatty Acyls
| Sub Class |
Fatty aldehydes
| Direct Parent |
Fatty aldehydes
| Alternative Parents |
Alpha-hydrogen aldehydes
Hydrocarbon derivatives
| Substituents |
Fatty aldehyde
Alpha-hydrogen aldehyde
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aldehyde
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
long-chain fatty aldehyde (CHEBI:78439 )
Fatty aldehydes (LMFA06000107 )
a fatty aldehyde (CPD-7883 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Cell signaling
Fuel and energy storage
Fuel or energy source
Membrane integrity/stability
| Application |
Nutrient
Stabilizers
Surfactants and Emlisifiers
| Cellliar locations |
Extracellliar
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point73 – 73.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility7.92e-06 mg/mLALOGPS
logP10.34ALOGPS
logP10.54ChemAxon
logS-7.7ALOGPS
pKa (Strongest Acidic)15.56ChemAxon
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 Å2ChemAxon
Rotatable Bond Count24ChemAxon
Refractivity122.17 m3·mol-1ChemAxon
Polarizability54.85 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Extracellliar
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000884
| KNApSAcK ID |
C00030477
| Chemspider ID |
2341518
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29695
| Metagene Link |
HMDB29695
| METLIN ID |
Not Available
| PubChem Compound |
3084462
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Ebselen
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 21079735