NAC – nicotinate
| Name | ||
|---|---|---|
| WID | NAC |
|
| Name | nicotinate |
|
| Traditional name | nicotinate | |
| IUPAC name | pyridine-3-carboxylate | |
| Cross references | ChEBI: 15940, PubChem: 3552, CAS: 59-67-6, ThreeDMET: B00073, KNApSAcK: C00000208, | |
| Classification | ||
| Type | vitamin |
|
| Structure | ||
| Empirical formula (pH 7.5) | H4C6N1O2 | |
| SMILES (pH 7.5) | [O-]C(=O)C1=CN=CC=C1 | |
| Charge (pH 7.5) | -1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 122.10 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
103.11 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | -39.60 | |
| pI | 4.01 | |
| logP | -0.190 | |
| logD (pH 7.5) | -2.78 | |
| Concentrations | ||
| Media composition (SP4; mM) | 0.000102 |
|
| Function | ||
| Reaction participant |
|
|
| Metadata | ||
| Created | 2012-10-01 15:07:04 | |
| Last updated | 2012-10-01 15:12:23 | |
