| Common Name |
Histidinyl-Aspartate
| Description |
Histidinyl-Aspartate is a dipeptide composed of histidine 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 HMDB28881 (Histidinyl-Aspartate)
| Synonyms |
| Value |
Source |
H-D DipeptideHMDB
HD DipeptideHMDB
His-aspHMDB
Histidine aspartate dipeptideHMDB
Histidine-aspartate dipeptideHMDB
HistidinylaspartateHMDB
L-Histidinyl-L-aspartateHMDB
| Chemical Formlia |
C10H14N4O5
| Average Molecliar Weight |
270.242
| Monoisotopic Molecliar Weight |
270.096419578
| IUPAC Name |
2-[2-amino-3-(1H-imidazol-5-yl)propanamido]butanedioic acid
| Traditional Name |
2-[2-amino-3-(3H-imidazol-4-yl)propanamido]butanedioic acid
| CAS Registry Number |
Not Available
| SMILES |
NC(CC1=CN=CN1)C(=O)NC(CC(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)
| InChI Key |
MDCTVRUPVLZSPG-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 |
Histidine and derivatives
Aspartic acid and derivatives
Acyl homoserines
N-acyl-alpha amino acids
Alpha amino acid amides
Imidazolyl carboxylic acids and derivatives
Aralkylamines
Dicarboxylic acids and derivatives
Heteroaromatic compounds
Amino acids
Secondary carboxylic acid amides
Carboxylic acids
Azacyclic compounds
Hydrocarbon derivatives
Carbonyl compounds
Monoalkylamines
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
Histidine or derivatives
Aspartic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Acyl-homoserine
Alpha-amino acid amide
Alpha-amino acid or derivatives
Imidazolyl carboxylic acid derivative
Aralkylamine
Fatty amide
Dicarboxylic acid or derivatives
Fatty acyl
Azole
Imidazole
Heteroaromatic compound
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Primary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organooxygen compound
Primary aliphatic amine
Organonitrogen compound
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic 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-6.79Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.82 mg/mLALOGPS
logP-3.2ALOGPS
logP-6ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
pKa (Strongest Basic)8.02ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.4 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity61.39 m3·mol-1ChemAxon
Polarizability25.11 Å3ChemAxon
Number of Rings1ChemAxon
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 |
HMDB28881
| Metagene Link |
HMDB28881
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Olodaterol
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Pischke MS, Jones LG, Otsuga D, Fernandez DE, Drews GN, Sussman MR: An Arabidopsis histidine kinase is essential for megagametogenesis. Proc Natl Acad Sci U S A. 2002 Nov 26;99(24):15800-5. Epub 2002 Nov 8. [PubMed:12426401 ]
|
PMID: 1397037