LIPOATE – lipoate
| Name | ||
|---|---|---|
| WID | LIPOATE |
|
| Name | lipoate |
|
| Traditional name | lipoate | |
| IUPAC name | 5-(1,2-dithiolan-3-yl)pentanoate | |
| Cross references | ChEBI: 30314, PubChem: 3990, CAS: 62-46-4, ThreeDMET: B00160, KNApSAcK: C00000754, | |
| Structure | ||
| Empirical formula (pH 7.5) | H13C8O2S2 | |
| SMILES (pH 7.5) | C1(CC(SS1)CCCCC(=O)[O-]) | |
| Charge (pH 7.5) | -1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 205.32 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
182.17 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | 308.70 | |
| logP | 2.11 | |
| logD (pH 7.5) | -0.510 | |
| Concentrations | ||
| Media composition (SP4; mM) | 0.000244 |
|
| Function | ||
| Reaction participant |
|
|
| Metadata | ||
| Created | 2012-10-01 15:07:01 | |
| Last updated | 2012-10-01 15:12:18 | |
