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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:11 UTC
Update Date2023-02-21 17:22:35 UTC
HMDB IDHMDB0032684
Secondary Accession Numbers
  • HMDB32684
Metabolite Identification
Common NameLactyltrimethylammonium betaine
DescriptionLactyltrimethylammonium betaine, also known as b-trimethylarsonium lactate, belongs to the class of organic compounds known as tetraorganoarsonium salts. These are organoarsenic compounds, where the arsenic atom is tetrasubstituted by organic groups. They have the general structure R4[As+]X-, X=any atom but H. Based on a literature review a significant number of articles have been published on Lactyltrimethylammonium betaine.
Structure
Data?1677000155
Synonyms
ValueSource
(2-Carboxy-2-hydroxyethyl)trimethylarsonium hydroxide inner salt, 9ciHMDB
b-Trimethylarsonium lactateHMDB
2-Hydroxy-3-(trimethylarsaniumyl)propanoic acidHMDB
Chemical FormulaC6H13AsO3
Average Molecular Weight208.0872
Monoisotopic Molecular Weight208.008065699
IUPAC Name2-hydroxy-3-(trimethylarsaniumyl)propanoate
Traditional Name2-hydroxy-3-(trimethylarsaniumyl)propanoate
CAS Registry Number68688-60-8
SMILES
C[As+](C)(C)CC(O)C([O-])=O
InChI Identifier
InChI=1S/C6H13AsO3/c1-7(2,3)4-5(8)6(9)10/h5,8H,4H2,1-3H3
InChI KeyUTNVEWHQVLDCMX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetraorganoarsonium salts. These are organoarsenic compounds, where the arsenic atom is tetrasubstituted by organic groups. They have the general structure R4[As+]X-, X=any atom but H.
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrganometalloid compounds
Sub ClassOrganoarsenic compounds
Direct ParentTetraorganoarsonium salts
Alternative Parents
Substituents
  • Tetraorganoarsonium salt
  • Carboxylic acid salt
  • Secondary alcohol
  • Oxygen-containing organoarsenic compound
  • Organic metalloid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic salt
  • Organic zwitterion
  • Organooxygen compound
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point199 - 201 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010641
KNApSAcK IDC00054332
Chemspider ID35013467
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12761633
PDB IDNot Available
ChEBI ID174031
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .