| Common Name |
Serinyl-Threonine
| Description |
Serinyl-Threonine is a dipeptide composed of serine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29049 (Serinyl-Threonine)
| Synonyms |
| Value |
Source |
L-Serinyl-L-threonineHMDB
S-T DipeptideHMDB
Ser-THRHMDB
Serine threonine dipeptideHMDB
Serine-threonine dipeptideHMDB
SerinylthreonineHMDB
ST DipeptideHMDB
| Chemical Formlia |
C7H14N2O5
| Average Molecliar Weight |
206.1965
| Monoisotopic Molecliar Weight |
206.090271568
| IUPAC Name |
2-(2-amino-3-hydroxypropanamido)-3-hydroxybutanoic acid
| Traditional Name |
2-(2-amino-3-hydroxypropanamido)-3-hydroxybutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(NC(=O)C(N)CO)C(O)=O
| InChI Identifier |
InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)
| InChI Key |
LDEBVRIURYMKQS-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Dipeptides
| Alternative Parents |
N-acyl-alpha amino acids
Serine and derivatives
Alpha amino acid amides
Short-chain hydroxy acids and derivatives
Beta hydroxy acids and derivatives
Fatty acids and conjugates
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Carboxylic acids
Monocarboxylic acids and derivatives
Organopnictogen compounds
Primary alcohols
Carbonyl compounds
Organic oxides
Hydrocarbon derivatives
Monoalkylamines
| Substituents |
Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Beta-hydroxy acid
Short-chain hydroxy acid
Hydroxy acid
Fatty acid
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary alcohol
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
| Biofunction |
Not Available
| Application |
Not Available
| Cellliar locations |
Not Available
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.06Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility78.7 mg/mLALOGPS
logP-3.1ALOGPS
logP-5.1ChemAxon
logS-0.42ALOGPS
pKa (Strongest Acidic)3.4ChemAxon
pKa (Strongest Basic)7.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area132.88 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity45.3 m3·mol-1ChemAxon
Polarizability19.3 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Not Available
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29049
| Metagene Link |
HMDB29049
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: EGF816 (S-enantiomer)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Ju T, Cummings RD: A unique molecular chaperone Cosmc required for activity of the mammalian core 1 beta 3-galactosyltransferase. Proc Natl Acad Sci U S A. 2002 Dec 24;99(26):16613-8. Epub 2002 Dec 3. [PubMed:12464682 ]
- Shet MS, Fisher CW, Tremblay Y, Belanger A, Conley AJ, Mason JI, Estabrook RW: Comparison of the 17 alpha-hydroxylase/C17,20-lyase activities of porcine, guinea pig and bovine P450c17 using purified recombinant fusion proteins containing P450c17 linked to NADPH-P450 reductase. Drug Metab Rev. 2007;39(2-3):289-307. [PubMed:17786622 ]
- Ford DJ, Essex A, Spalding TA, Burstein ES, Ellis J: Homologous mutations near the junction of the sixth transmembrane domain and the third extracellular loop lead to constitutive activity and enhanced agonist affinity at all muscarinic receptor subtypes. J Pharmacol Exp Ther. 2002 Mar;300(3):810-7. [PubMed:11861785 ]
|
PMID: 9700856
