Showing Metabocard for L-isoleucyl-L-leucine (BASm0012070)
| Common Name | L-isoleucyl-l-leucine |
|---|---|
| Description | Isoleucyl-Leucine is a dipeptide composed of isoleucine and leucine. 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 | |
| Molecular Formula | C12H24N2O3 |
| Average Mass | 244.33060 |
| Monoisotopic Mass | 244.17869 |
| IUPAC Name | 2-(2-amino-3-methylpentanamido)-4-methylpentanoic acid |
| Traditional Name | 2-(2-amino-3-methylpentanamido)-4-methylpentanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] |
| InChI Identifier | InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) |
| InChI Key | JWBXCSQZLLIOCI-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:190706 |
| HMDB ID | HMDB0028911 |
| State | Solid |
| Water Solubility | 3.16e+00 g/l |
| logP | -0.96 |
| logS | -1.89 |
| pKa (Strongest Acidic) | 4.11 |
| pKa (Strongest Basic) | 8.51 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 92.42 Ų |
| Rotatable Bond Count | 7 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 65.06 m³·mol⁻¹ |
| Polarizability | 27.05 |