GTL
Summary
| Name: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE |
| Synonyms: | D-GALACTOHYDROXIMO-1,5-LACTAM |
| Formula: | C6 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 192.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime |
| OpenEye OEToolkits | 1.5.0 | (3S,4S,5S,6R)-2-hydroxyimino-6-(hydroxymethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(O)C(=N\O)\NC1CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(=NO)N1)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1 |
| InChIKey | InChI | 1.03 | VBXHGXTYZGYTQG-MGCNEYSASA-N |
