AMU
Summary
| Name: | N-acetyl-beta-muramic acid |
| Synonyms: | N-acetyl-muramic acid BETA-N-ACETYLMURAMIC ACID |
| Formula: | C11 H19 N O8 |
| Formal charge: | 0 |
| Formula weight: | 293.27 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid |
| PDB-CARE | 1.0 | b-D-GlcpNAc3 |
| GMML | 1.0 | MurNAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | MNLRQHMNZILYPY-YVNCZSHWSA-N |
