| Common Name |
Methionyl-Aspartate
| Description |
Methionyl-Aspartate is a dipeptide composed of methionine and aspartate. 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 HMDB28969 (Methionyl-Aspartate)
| Synonyms |
| Value |
Source |
L-Methionyl-L-aspartateHMDB
m-D DipeptideHMDB
MD DipeptideHMDB
Met-aspHMDB
Methionine aspartate dipeptideHMDB
Methionine-aspartate dipeptideHMDB
MethionylaspartateHMDB
| Chemical Formlia |
C9H16N2O5S
| Average Molecliar Weight |
264.299
| Monoisotopic Molecliar Weight |
264.077992322
| IUPAC Name |
2-[2-amino-4-(methylslifanyl)butanamido]butanedioic acid
| Traditional Name |
2-[2-amino-4-(methylslifanyl)butanamido]butanedioic acid
| CAS Registry Number |
Not Available
| SMILES |
CSCCC(N)C(=O)NC(CC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)
| InChI Key |
QTZXSYBVOSXBEJ-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
Aspartic acid and derivatives
Acyl homoserines
N-acyl-alpha amino acids
Alpha amino acid amides
N-acyl amines
Fatty acids and conjugates
Dicarboxylic acids and derivatives
Secondary carboxylic acid amides
Amino acids
Slifenyl compounds
Dialkylthioethers
Carboxylic acids
Carbonyl compounds
Hydrocarbon derivatives
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Aspartic acid or derivatives
Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Acyl-homoserine
Alpha-amino acid amide
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acid
Fatty acyl
Amino acid
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Thioether
Dialkylthioether
Slifenyl compound
Carboxylic acid
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organoslifur compound
Amine
Primary amine
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-3.67Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.4 mg/mLALOGPS
logP-2.9ALOGPS
logP-3.5ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.43ChemAxon
pKa (Strongest Basic)8.42ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity60.92 m3·mol-1ChemAxon
Polarizability25.71 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 |
HMDB28969
| Metagene Link |
HMDB28969
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: DiI
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 23087410
