LTM
Summary
| Name: | N-ACETYL GLUCONOLACTAM |
| Formula: | C8 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 218.207 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxopiperidin-3-yl]acetamide |
| OpenEye OEToolkits | 1.6.1 | N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxo-piperidin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(CO)C(O)C(O)C1NC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)NC1=O |
| SMILES | CACTVS | 3.352 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC1C(C(C(NC1=O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-7,11,13-14H,2H2,1H3,(H,9,12)(H,10,15)/t4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | DLGBPZFGIMUEIM-DBRKOABJSA-N |
