Showing Metabocard for L-ectoine (BASm0003517)
| Common Name | L-ectoine |
|---|---|
| Description | Ectoine belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Ectoine has been identified in urine (PMID: 22409530 ). |
| Structure | |
| Molecular Formula | C6H10N2O2 |
| Average Mass | 142.15580 |
| Monoisotopic Mass | 142.07423 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 96702-03-03 |
| SMILES | CC1=[NH+][C@H](C(=O)[O-])CCN1 |
| InChI Identifier | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| InChI Key | WQXNXVUDBPYKBA-YFKPBYRVSA-N |
| CHEBI ID | CHEBI:58515 |
| HMDB ID | HMDB0240650 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |