Basic information
- CAS
102783-05-1- Standard SMILES
C[C@@H](O)[C@H]([NH3+])C(=O)[O-]- InChIKey
MEXORTGEIOUNCT-UHFFFAOYSA-N- Molecular formula
- C4H9NO3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Overview
L-threonine zwitterion is zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-threonine.
Names & identifiers
- Preferred name
- (2S,3R)-2-ammonio-3-hydroxybutanoate
- IUPAC
- (2S,3R)-2-azaniumyl-3-hydroxybutanoate
- English name
- Urea, polymer with 1,4-butanediol and formaldehyde, methylated
- Molecular formula
- C6H16N2O4
- Molecular weight
- 180.2
Names & synonyms
102783-05-12S,3R)-2-amino-3-hydroxybutanoic acid3ajeL-threonine zwitterion3c1nCHEBI:57926(2S,3R)-2-ammonio-3-hydroxybutanoateUrea, polymer with 1,4-butanediol and formaldehyde, methylated
Database identifiers
- CAS
102783-05-1、72-19-5、80-68-2- PubChem CID
- 6971019
- ChEBI
CHEBI:57926- EC Number
- 677-639-2
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 87.8
Experimental & physicochemical properties
LogP-2.94
Solubility97.0 mg/mL
Melting Point256 °C
Physical DescriptionSolid
Dissociation Constants5.60
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H351
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Urea, polymer with 1,4-butanediol and formaldehyde, methylated
Urea, polymer with 1,4-butanediol and formaldehyde, methylated: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Urea, polymer with 1,4-butanediol and formaldehyde, methylated: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H317-H351
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Pharmacology
Pharmacodynamics
L-Threonine is an essential amino acid that helps to maintain the proper protein balance in the body. It is important for the formation of collagen, elastin, and tooth enamel, and aids liver and lipotropic function when combined with aspartic acid and methionine.
Mechanism of Action
L-Threonine is a precursor to the amino acids glycine and serine. It acts as a lipotropic in controlling fat build-up in the liver. May help combat mental illness and may be very useful in indigestion and intestinal malfunctions. Also, threonine prevents excessive liver fat. Nutrients are more readily absorbed when threonine is present.
Metabolism/MetabolitesHepatic
Tissue LocationsAll Tissues
Cellular LocationsCytoplasm
Metabolite PathwaysAmikacin Action Pathway
Additional notes
DefinitionChEBI: L-threonine zwitterion is zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-threonine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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