Calculated reference model · not an experimental or batch-certified structure. All 10 atoms shown.
Model data & sources
- Heavy atoms only; hydrogens are omitted from the reference display.
- Source-defined stereochemistry is checked against the calculated coordinates; no energy-minimum, crystal or solution-structure claim is made.
- Reference molecular species only; batch identity, purity, counterions and excipients are not certified.
- Formula
- C5H9NO3S
- Method
- RDKit ETKDGv3 / MMFF94s calculated reference conformer
NAC: One Thiol, Three Mechanisms
N-Acetyl-L-cysteine (NAC; CAS 616-91-1, C5H9NO3S, 163.19 g/mol) is an N-acetylated derivative of the sulfur-containing amino acid L-cysteine studied across three distinct biochemical mechanisms in preclinical models: (1) direct nucleophilic and thiol-disulfide exchange reactivity via its free sulfhydryl (-SH) group, (2) intracellular deacetylation to supply rate-limiting L-cysteine for reduced glutathione (GSH) biosynthesis via glutamate-cysteine ligase, and (3) modulation of cystine-glutamate antiporter (system xc-) and protein S-thiolation signaling in vitro. Analytical verification of reference lots employs reversed-phase HPLC, mass spectrometry, and thiol titration. Provided strictly for laboratory research use only.
