| Common Name |
Glycyl-Aspartate
| Description |
Glycyl-Aspartate is a dipeptide composed of glycine 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 HMDB28837 (Glycyl-Aspartate)
| Synonyms |
| Value |
Source |
g-D DipeptideHMDB
GD DipeptideHMDB
Gly-aspHMDB
Glycine aspartate dipeptideHMDB
Glycine-aspartate dipeptideHMDB
GlycylaspartateHMDB
L-Glycyl-L-aspartateHMDB
| Chemical Formlia |
C6H10N2O5
| Average Molecliar Weight |
190.154
| Monoisotopic Molecliar Weight |
190.05897144
| IUPAC Name |
2-(2-aminoacetamido)butanedioic acid
| Traditional Name |
2-(2-aminoacetamido)butanedioic acid
| CAS Registry Number |
Not Available
| SMILES |
NCC(=O)NC(CC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
| InChI Key |
SCCPDJAQCXWPTF-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 |
Aspartic acid and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Fatty acids and conjugates
Dicarboxylic acids and derivatives
Secondary carboxylic acid amides
Amino acids
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-dipeptide
Aspartic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Organonitrogen compound
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Primary amine
Amine
Hydrocarbon derivative
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-4.85Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility26.9 mg/mLALOGPS
logP-3.5ALOGPS
logP-4.7ChemAxon
logS-0.85ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)8.14ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity39.34 m3·mol-1ChemAxon
Polarizability16.58 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 |
HMDB28837
| Metagene Link |
HMDB28837
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Olcegepant (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Girelli AM, Mattei E, Messina A, Tarola AM: Inhibition of polyphenol oxidases activity by various dipeptides. J Agric Food Chem. 2004 May 19;52(10):2741-5. [PubMed:15137808 ]
- OBrien EC, Farkas E, Rockenbauer A, Nolan KB: Metal complexes of taurine. The first reported solution equilibrium studies for complex formation by taurine at physiological pH; the copper(II)-glycylglycinate-taurine and the copper(II)-glycylaspartate-taurine systems. J Inorg Biochem. 1999 Nov-Dec;77(3-4):135-9. [PubMed:10702036 ]
- Huang YB, Xiao YP, Wang H, Hou RZ, Zhang N, Wu XX, Xu L, Zhang XZ: Chemo-enzymatic synthesis of tripeptide RGD diamide in organic solvents. J Biotechnol. 2005 Mar 2;116(1):51-9. Epub 2004 Dec 28. [PubMed:15652429 ]
- Feng X, An Y, Yao Z, Li C, Shi G: A turn-on fluorescent sensor for pyrophosphate based on the disassembly of Cu2+-mediated perylene diimide aggregates. ACS Appl Mater Interfaces. 2012 Feb;4(2):614-8. doi: 10.1021/am201616r. Epub 2012 Jan 23. [PubMed:22220681 ]
|
PMID: 18407463
