1S4
Summary
| Name: | alpha-muramic acid |
| Synonyms: | muramic acid 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose |
| Formula: | C9 H17 N O7 |
| Formal charge: | 0 |
| Formula weight: | 251.234 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-[(2R,3S,4R,5R,6S)-5-azanyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoic acid |
| GMML | 1.0 | Mur |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | MSFSPUZXLOGKHJ-GLPGPYIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N |
