Showing metabocard for Palmitic amide (BMDB0012273)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:35:22 UTC
Update Date2020-04-22 15:49:25 UTC
BMDB IDBMDB0012273
Secondary Accession Numbers
  • BMDB12273
Metabolite Identification
Common NamePalmitic amide
DescriptionPalmitic amide, also known as amide 16 or cetyl amide, belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Thus, palmitic amide is considered to be a fatty amide. Based on a literature review a significant number of articles have been published on Palmitic amide.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
Amide 16ChEBI
Cetyl amideChEBI
PalmitamideChEBI
Amide HPLHMDB
HexadecanamideHMDB
N-HexadecanamideHMDB
Palmitamide (acd/name 4.0)HMDB
Palmitic acid amideHMDB
Palmityl amideHMDB
Palmitic amideChEBI
Chemical FormulaC16H33NO
Average Molecular Weight255.4393
Monoisotopic Molecular Weight255.256214683
IUPAC Namehexadecanamide
Traditional Namecetamide
CAS Registry Number629-54-9
SMILES
CCCCCCCCCCCCCCCC(N)=O
InChI Identifier
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
InChI KeyHSEMFIZWXHQJAE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty amides
Direct ParentFatty amides
Alternative Parents
Substituents
  • Fatty amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • 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
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP6.59ALOGPS
logP5.45ChemAxon
logS-6.1ALOGPS
pKa (Strongest Acidic)16.88ChemAxon
pKa (Strongest Basic)-0.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.09 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity78.91 m³·mol⁻¹ChemAxon
Polarizability34.75 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
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012273
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011671
KNApSAcK IDC00037269
Chemspider ID62629
KEGG Compound IDNot Available
BioCyc IDCPD6666-3
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound69421
PDB IDNot Available
ChEBI ID74475
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available