Showing Metabocard for 1,6-anhydro-N-acetyl-beta-muramate (BASm0003632)
| Common Name | 1,6-anhydro-n-acetyl-beta-muramate |
|---|---|
| Description | 1,6-anhydro-n-acetyl-beta-muramate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,6-anhydro-n-acetyl-beta-muramate is soluble (in water) and a weakly acidic compound (based on its pKa). 1,6-anhydro-n-acetyl-beta-muramate can be found in a number of food items such as lovage, french plantain, ceylon cinnamon, and garden cress, which makes 1,6-anhydro-n-acetyl-beta-muramate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C11H16NO7 |
| Average Mass | 274.24720 |
| Monoisotopic Mass | 274.09268 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)[O-] |
| InChI Identifier | InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/p-1/t4-,6-,7-,8-,9-,11-/m1/s1 |
| InChI Key | ZFEGYUMHFZOYIY-YVNCZSHWSA-M |
| CHEBI ID | CHEBI:58690 |
| HMDB ID | HMDB0304012 |
| 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 |