Showing metabocard for Myristoylglycine (BMDB0096055)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-10 17:00:28 UTC
Update Date2020-04-22 18:55:46 UTC
BMDB IDBMDB0096055
Secondary Accession Numbers
  • BMDB96055
Metabolite Identification
Common NameMyristoylglycine
DescriptionMyristoylglycine 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. Based on a literature review a significant number of articles have been published on Myristoylglycine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
TetradecanoylglycineChEBI
Acylglycine c:14HMDB
N-Myristoylglycine, sodium saltMeSH, HMDB
N-Myristoyl-glyMeSH, HMDB
N-MyristoylglycineMeSH, HMDB
N-Myristoylglycine, potassium saltMeSH, HMDB
MyristoylglycineChEBI
Chemical FormulaC16H31NO3
Average Molecular Weight285.4222
Monoisotopic Molecular Weight285.230393863
IUPAC Name2-tetradecanamidoacetic acid
Traditional Nametetradecanamidoacetic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCC(=O)NCC(O)=O
InChI Identifier
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
InChI KeyDYUGTPXLDJQBRB-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
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Membrane
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.98ALOGPS
logP4.26ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)4.05ChemAxon
pKa (Strongest Basic)-1.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity80.69 m³·mol⁻¹ChemAxon
Polarizability35.56 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cell membrane
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0013250
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029359
KNApSAcK IDNot Available
Chemspider ID65286
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound72348
PDB IDNot Available
ChEBI ID87142
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available