| Common Name |
Isoleucyl-Isoleucine
| Description |
Isoleucyl-Isoleucine is a dipeptied compoosed of two isoleucine residues. 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 HMDB28910 (Isoleucyl-Isoleucine)
| Synonyms |
| Value |
Source |
I-I dipeptideHMDB
II dipeptideHMDB
Ile-ileHMDB
Isoleucine isoleucine dipeptideHMDB
Isoleucine-isoleucine dipeptideHMDB
IsoleucylisoleucineHMDB
L-Isoleucyl-L-isoleucineHMDB
| Chemical Formlia |
C12H24N2O3
| Average Molecliar Weight |
244.3306
| Monoisotopic Molecliar Weight |
244.178692644
| IUPAC Name |
2-(2-amino-3-methylpentanamido)-3-methylpentanoic acid
| Traditional Name |
ile-ile
| CAS Registry Number |
Not Available
| SMILES |
CCC(C)C(N)C(=O)NC(C(C)CC)C(O)=O
| InChI Identifier |
InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
| InChI Key |
BCVIOZZGJNOEQS-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 |
Isoleucine and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Methyl-branched fatty acids
N-acyl amines
Secondary carboxylic acid amides
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-dipeptide
Isoleucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Branched fatty acid
Methyl-branched fatty acid
N-acyl-amine
Fatty amide
Fatty acid
Fatty acyl
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Detected 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-0.72Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility3.71 mg/mLALOGPS
logP-1ALOGPS
logP-0.72ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)4.11ChemAxon
pKa (Strongest Basic)8.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area92.42 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity64.99 m3·mol-1ChemAxon
Polarizability27.26 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 |
Saliva
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
SalivaDetected but not Quantified Adlit (>18 years old)Male
Normal
22308371
details
|
| 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 |
HMDB28910
| Metagene Link |
HMDB28910
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: AR7
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Artemyev NO, Natochin M, Busman M, Schey KL, Hamm HE: Mechanism of photoreceptor cGMP phosphodiesterase inhibition by its gamma-subunits. Proc Natl Acad Sci U S A. 1996 May 28;93(11):5407-12. [PubMed:8643588 ]
- Yang S, Jia C, Zhu H, Han S: CYP1A1 Ile462Val polymorphism and cervical cancer: evidence from a meta-analysis. Tumour Biol. 2012 Dec;33(6):2265-72. doi: 10.1007/s13277-012-0488-y. Epub 2012 Sep 5. [PubMed:22948778 ]
- Suh YJ, Kim BM, Park BH, Park H, Kim YJ, Kim H, Hong YC, Ha EH: Cytochrome P450IA1 polymorphisms along with PM(10) exposure contribute to the risk of birth weight reduction. Reprod Toxicol. 2007 Nov-Dec;24(3-4):281-8. Epub 2007 Jul 7. [PubMed:17706398 ]
|
PMID: 2840295
