Showing metabocard for Palmitaldehyde (BMDB0001551)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 22:47:34 UTC
Update Date2020-05-21 16:27:10 UTC
BMDB IDBMDB0001551
Secondary Accession Numbers
  • BMDB01551
Metabolite Identification
Common NamePalmitaldehyde
DescriptionPalmitaldehyde, also known as 1-hexadecanal, 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. Thus, palmitaldehyde is considered to be a fatty aldehyde lipid molecule. Palmitaldehyde is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-HexadecanalChEBI
16-HexadecanalChEBI
N-HexadecanalChEBI
Palmitoyl aldehydeHMDB
HexadecanalHMDB
Chemical FormulaC16H32O
Average Molecular Weight240.4247
Monoisotopic Molecular Weight240.245315646
IUPAC Namehexadecanal
Traditional Namepalmitoyl
CAS Registry Number629-80-1
SMILES
CCCCCCCCCCCCCCCC=O
InChI Identifier
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChI KeyNIOYUNMRJMEDGI-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty aldehydes
Direct ParentFatty aldehydes
Alternative Parents
Substituents
  • Fatty aldehyde
  • Alpha-hydrogen aldehyde
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aldehyde
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Endoplasmic reticulum
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point35 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP7.18ALOGPS
logP6.1ChemAxon
logS-6.6ALOGPS
pKa (Strongest Acidic)15.56ChemAxon
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity76.16 m³·mol⁻¹ChemAxon
Polarizability33.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Endoplasmic reticulum
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0001551
DrugBank IDDB03381
Phenol Explorer Compound IDNot Available
FooDB IDFDB031083
KNApSAcK IDC00007542
Chemspider ID959
KEGG Compound IDC00517
BioCyc IDNot Available
BiGG ID35223
Wikipedia LinkNot Available
METLIN ID6317
PubChem Compound984
PDB IDNot Available
ChEBI ID17600
References
Synthesis ReferenceVignais, Pierce V.; Zabin, Irving. Formation of palmitaldehyde in rat brain. Biochem. Lipids Proc. 5th Intern. Conf. Vienna (1960), Volume Date 1958, 78-84.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. SGPL1 protein
General function:
Amino acid transport and metabolism
Specific function:
Not Available
Gene Name:
SGPL1
Uniprot ID:
A5D788
Molecular weight:
63567.0
Reactions
Sphinganine 1-phosphate → O-Phosphoethanolamine + Palmitaldehydedetails
Sphingosine 1-phosphate → O-Phosphoethanolamine + Palmitaldehydedetails