LPA
Summary
| Name: | LIPOIC ACID |
| Synonyms: | 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid |
| Formula: | C8 H14 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 206.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid |
| OpenEye OEToolkits | 1.7.2 | 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCC1SSCC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | AGBQKNBQESQNJD-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCCC[C@@H]1CCSS1 |
| SMILES | CACTVS | 3.370 | OC(=O)CCCC[CH]1CCSS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CSS[C@@H]1CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CSSC1CCCCC(=O)O |
