Navigation

name Structure Reference Source Properties Activities Metabolism

N-acetyl-L-cysteine

AlkaPlorer ID: AK011993

Synonym: 'NAC', 'L-acetylcysteine', 'L-alpha-acetamido-beta-mercaptopropionic acid', 'mercapturic acid', 'Acetylcysteine', 'N-ACETYL-L-CYSTEINE', 'N-acetyl-L-(+)-cysteine', '(R)-mercapturic acid', '(R)-2-acetylamino-3-mercaptopropanoic acid', '(2R)-2-acetylamino-3-sulfanylpropanoic acid', 'N-acetylcysteine'

IUPAC Name: (2S)-2-acetamido-3-sulfanylpropanoic acid

Structure

SMILES: CC(O)=N[C@H](CS)C(=O)O

copy

InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1

copy

InChIKey: PWKSKIMOESPYIA-SCSAIBSYSA-N

copy

Reference

PubChem CID: 94364

CAS: 26117-28-2

NPASS: NPC306238

Source

Species Genus Family Order Class Phylum Kingdom Domain
Allium sativum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 163.198

TPSA？: 69.89

MolLogP？: 0.3458

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 1258.9 nM None
Homo sapiens Aldehyde dehydrogenase IC50 nan None 10.1016/j.bmcl.2021.127958
Homo sapiens Aldehyde dehydrogenase 1A1 IC50 nan None 10.1016/j.bmcl.2021.127958
Homo sapiens Arachidonate 15-lipoxygenase Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 5011.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens MAP kinase ERK2 Potency 199.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 39810.7 nM None
Mus musculus HT-22 Activity 10.8 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity 13.0 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity 14.6 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity 16.4 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity 17.2 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity 49.9 % 10.1016/j.ejmech.2017.02.042
Mus musculus HT-22 Activity nan None 10.1016/j.ejmech.2017.02.042

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004711 CC(=O)[CoA].N[C@H](CS)C(=O)O>>CC(=O)N[C@H](CS)C(=O)O enzymemap_30763