| Common Name |
Arginyl-Threonine
| Description |
Arginyl-Threonine is a dipeptide composed of arginine 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
| Synonyms |
| Value |
Source |
Arg-THRHMDB
Arginine threonine dipeptideHMDB
Arginine-threonine dipeptideHMDB
ArginylthreonineHMDB
L-Arginyl-L-threonineHMDB
R-T DipeptideHMDB
RT DipeptideHMDB
| Chemical Formlia |
C10H21N5O4
| Average Molecliar Weight |
275.3048
| Monoisotopic Molecliar Weight |
275.159354185
| IUPAC Name |
2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxybutanoic acid
| Traditional Name |
2-(2-amino-5-carbamimidamidopentanamido)-3-hydroxybutanoic acid
| CAS Registry Number |
Not Available
| SMILES |
CC(O)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O
| InChI Identifier |
InChI=1S/C10H21N5O4/c1-5(16)7(9(18)19)15-8(17)6(11)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)
| InChI Key |
XNSKSTRGQIPTSE-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
Alpha amino acid amides
Short-chain hydroxy acids and derivatives
Beta hydroxy acids and derivatives
N-acyl amines
Fatty acids and conjugates
Secondary carboxylic acid amides
Secondary alcohols
Amino acids
Guanidines
Propargyl-type 1,3-dipolar organic compounds
Monocarboxylic acids and derivatives
Carboximidamides
Carboxylic acids
Hydrocarbon derivatives
Carbonyl compounds
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Beta-hydroxy acid
Short-chain hydroxy acid
N-acyl-amine
Hydroxy acid
Fatty amide
Fatty acid
Fatty acyl
Carboxamide group
Amino acid
Guanidine
Amino acid or derivatives
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Primary aliphatic amine
Amine
Primary amine
Organooxygen compound
Organonitrogen 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-4.31Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility1.05 mg/mLALOGPS
logP-3.5ALOGPS
logP-4.3ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)3.54ChemAxon
pKa (Strongest Basic)11.95ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area174.55 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity77.18 m3·mol-1ChemAxon
Polarizability27.99 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-0a6r-1490000000-2f24a630eb73d5558f43View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-03fr-4940000000-f5f85f11b802135b1a74View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-03di-9200000000-a3bfe50fa031749ef334View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-06z9-1290000000-e6cb43f6b187f3b20f1aView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-0bu9-5790000000-43fbc01d77054aef2adaView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-052f-9300000000-4a29a2577bebbb5372a8View in MoNA
| 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 |
HMDB28719
| Metagene Link |
HMDB28719
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Cloxacillin (sodium monohydrate)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Levy NJ, Ramesh N, Cicardi M, Harrison RA, Davis AE 3rd: Type II hereditary angioneurotic edema that may result from a single nucleotide change in the codon for alanine-436 in the C1 inhibitor gene. Proc Natl Acad Sci U S A. 1990 Jan;87(1):265-8. [PubMed:2296585 ]
|
PMID: 20429045
