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RMID:Image ID:M5DA4B Image details Contributor: Barry King Image ID: M5DA4B File size: 17.7 MB (461.1 KB Compressed download) Releases: Model - no | Property - noDo I need a release

Kingdom Organic compounds Super Class Organic nitrogen compounds Class Organonitrogen compounds Sub Class Quaternary ammonium salts Direct Parent Carnitines Alternative Parents Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Substituents Carnitine Beta-hydroxy acid Short-chain hydroxy acid Fatty acid Hydroxy acid Tetraalkylammonium salt 1,2-aminoalcohol Carboxylic acid salt Secondary alcohol Carboxylic acid derivative Carboxylic acid Monocarboxylic acid or derivatives Organic oxygen compound Organooxygen compound Organic zwitterion Organic salt Hydrocarbon derivative Organic oxide Carbonyl group Organopnictogen compound Amine Alcohol Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors amino-acid betaine (CHEBI:17126) a D,L-carnitine (D-CARNITINE) Physical Properties State: Not Available Charge: 0 Melting point: Not Available Experimental Properties: Not Available Predicted Properties Property Value Source Molecular Weight 161.201 g/mol PubChem XLogP3-AA -0.2 PubChem Hydrogen Bond Donor Count 1 PubChem Hydrogen Bond Acceptor Count 3 PubChem Rotatable Bond Count 3 PubChem Exact Mass 161.105 g/mol PubChem Monoisotopic Mass 161.105 g/mol PubChem Topological Polar Surface Area 60.4 A^2 PubChem Heavy Atom Count 11 PubChem Formal Charge 0 PubChem Complexity 134 PubChem Isotope Atom Count 0 PubChem Defined Atom Stereocenter Count 1 PubChem Undefined Atom Stereocenter Count 0 PubChem Defined Bond Stereocenter Count 0 PubChem Undefined Bond Stereocenter Count 0 PubChem Covalently-Bonded Unit Count 1 PubChem Water Solubility 2500 mg/mL PubChem pKa 3.8 PubChem Patent 6335369 United States PubChem Biological Properties Cellular Locations: Not Available Reactions: Pathways: Carnitine Catabolism to Glycine Betaine PWYB-96 Spectra Spectra: Not Available References References: Not Available Synthesis Reference: Not Available Material Safety Data Sheet (MSDS) Not Available Links External Links: Resource Link CAS 541-15-1 CAS 44985-71-9 ChEBI 16347 ChemSpider 10455 DrugBank DB00583 HMDB HMDB14721 IAF1260 34600 KEGG C00318 MetaboLights MTBLC16347 PubChem 10917

Retrieved 2010-11-07

M., Ni, H., Yoon, L., Falls, J