| Common Name |
Threoninyl-Methionine
| Description |
Threoninyl-Methionine is a dipeptide composed of threonine and methionine. 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 HMDB29067 (Threoninyl-Methionine)
| Synonyms |
| Value |
Source |
L-Threoninyl-L-methionineHMDB
T-m DipeptideHMDB
THR-MetHMDB
Threonine methionine dipeptideHMDB
Threonine-methionine dipeptideHMDB
ThreoninylmethionineHMDB
TM DipeptideHMDB
| Chemical Formlia |
C9H18N2O4S
| Average Molecliar Weight |
250.315
| Monoisotopic Molecliar Weight |
250.098727764
| IUPAC Name |
2-(2-amino-3-hydroxybutanamido)-4-(methylslifanyl)butanoic acid
| Traditional Name |
2-(2-amino-3-hydroxybutanamido)-4-(methylslifanyl)butanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CSCCC(NC(=O)C(N)C(C)O)C(O)=O
| InChI Identifier |
InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
| InChI Key |
APIDTRXFGYOLLH-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 |
Methionine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Thia fatty acids
Hydroxy fatty acids
N-acyl amines
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Slifenyl compounds
Carboxylic acids
Dialkylthioethers
Monocarboxylic acids and derivatives
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
Monoalkylamines
| Substituents |
Alpha-dipeptide
Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Hydroxy fatty acid
Thia fatty acid
Fatty amide
N-acyl-amine
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Carboxamide group
Amino acid
Thioether
Dialkylthioether
Slifenyl compound
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organoslifur compound
Amine
Primary amine
Hydrocarbon derivative
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-3.36Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility14.1 mg/mLALOGPS
logP-1.9ALOGPS
logP-3.4ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)3.71ChemAxon
pKa (Strongest Basic)7.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity60.85 m3·mol-1ChemAxon
Polarizability25.52 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 |
HMDB29067
| Metagene Link |
HMDB29067
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Scutellarin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 25382408