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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2009-07-25 00:12:02 UTC
Update Date2021-10-13 05:37:42 UTC
HMDB IDHMDB0013034
Secondary Accession Numbers
  • HMDB13034
Metabolite Identification
Common NamePalmitoylglycine
DescriptionPalmitoylglycine is an acylglycine with C-16 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine.
Structure
Data?1582753085
Synonyms
ValueSource
2-(Hexadecanoylamino)acetic acidChEBI
2-Hexadecanamidoacetic acidChEBI
Elmiric acidChEBI
HexadecanoylglycineChEBI
N-PalmitoylglycineChEBI
PalmitoylglycineChEBI
2-(Hexadecanoylamino)acetateGenerator
2-HexadecanamidoacetateGenerator
ElmirateGenerator
N-Ethanoyl-hexadecanamideChEMBL, HMDB
Glycine stearamideHMDB
Glycine steatamideHMDB
N-(1-Oxooctadecyl)-glycineHMDB
N-(Carboxymethyl)octadecanamideHMDB
N-StearoylglycineHMDB
N-Palmitoyl glycineMeSH, HMDB
Chemical FormulaC18H35NO3
Average Molecular Weight313.4754
Monoisotopic Molecular Weight313.261693991
IUPAC Name2-hexadecanamidoacetic acid
Traditional NameN-palmitoyl glycine
CAS Registry Number158305-64-7
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(O)=O
InChI Identifier
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
InChI KeyKVTFEOAKFFQCCX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point491.80 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility0.1 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP6.030 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03440
Phenol Explorer Compound IDNot Available
FooDB IDFDB029260
KNApSAcK IDNot Available
Chemspider ID133100
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151008
PDB IDNot Available
ChEBI ID39540
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1684351
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available