LLH
Summary
| Name: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID |
| Formula: | C5 H9 N O7 |
| Formal charge: | 0 |
| Formula weight: | 195.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)C(O)C(=O)NO |
| SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)NO)O)(C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1 |
| InChIKey | InChI | 1.03 | DMGBHBFPSRKPBV-ZVHKOUPVSA-N |
