Record Information
Version1.0
Creation date2015-10-09 22:29:42 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000292
FoodDB RecordFDB002281
Chemical Information
NameN-Acetyl-L-cysteine
DescriptionEffective inhibitor of enzymic browning in foods [DFC] N-Acetyl-L-cysteine is a pharmaceutical drug and nutritional supplement used primarily as a mucolytic agent and in the management of paracetamol (acetaminophen) overdose. Other uses include sulfate repletion in conditions, such as autism, where cysteine and related sulfur amino acids may be depleted. N-Acetyl-L-cysteine is a precursor in the formation of the antioxidant glutathione in the body. The thiol group confers antioxidant effects and is able to reduce free radicals. [Wikipedia].
CAS Number616-91-1
Structure
Thumb
Synonyms
SynonymSource
(2R)-2-(Acetylamino)-3-mercaptopropanoic acidbiospider
(2R)-2-Acetamido-3-sulfanyl-propanoic acidbiospider
(2R)-2-acetylamino-3-SulfanylpropanoateGenerator
(2R)-2-Acetylamino-3-sulfanylpropanoic acidbiospider
(2R)-2-acetylamino-3-SulphanylpropanoateGenerator
(2R)-2-acetylamino-3-Sulphanylpropanoic acidGenerator
(R)-2-acetylamino-3-MercaptopropanoateGenerator
(R)-2-Acetylamino-3-mercaptopropanoic acidbiospider
(R)-MercaptateGenerator
(R)-Mercaptic acidGenerator
(R)-Mercapturic acidChEBI
2-Acetylamino-3-mercapto-propionatebiospider
2-Acetylamino-3-mercapto-propionic acidbiospider
Acetadotebiospider
Aceteinbiospider
AcetilcisteinaChEBI
Acetylcysteinemanual
AcetylcysteinumChEBI
Airbrondb_source
Fabroldb_source
Fluimicil infantilHMDB
FluimucetinHMDB
FlumucetinHMDB
FluprowitHMDB
L-2-Acetamido-3-mercaptopropanoic acidmanual
L-a-acetamido-b-MercaptopropionateGenerator
L-a-acetamido-b-Mercaptopropionic acidGenerator
L-Acetylcysteinemanual
L-alpha-acetamido-beta-MercaptopropionateGenerator
L-alpha-Acetamido-beta-mercaptopropionic acidbiospider
L-α-acetamido-β-mercaptopropionateGenerator
L-α-acetamido-β-mercaptopropionic acidGenerator
Lysomucilbiospider
MercaptateGenerator
Mercaptic acidGenerator
Mercapturic acidChEBI
Mucomystdb_source
N-Acety-L-cysteineHMDB
N-Acetyl cysteinebiospider
N-Acetyl-3-mercaptoalaninebiospider
N-Acetyl-L-(+)-cysteinebiospider
N-Acetyl-L-cysteinebiospider
N-Acetylcysteinebiospider
N-Acetylcysteine; L-formdb_source
NACbiospider
NSC 111180db_source
Parvolexdb_source
Respairedb_source
Sodium 2-acetamido-3-mercaptopropionateHMDB
Chemical FormulaC5H9NO3S
IUPAC name(2R)-2-acetamido-3-sulfanylpropanoic acid
InChI IdentifierInChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChI KeyPWKSKIMOESPYIA-BYPYZUCNSA-N
Isomeric SMILESCC(=O)N[C@@H](CS)C(O)=O
Average Molecular Weight163.195
Monoisotopic Molecular Weight163.030313849
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Cysteine or derivatives
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Alkylthiol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 109-110°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci I630
AKSci J90138
Cayman Chemical 20261
Fluka HMDB0001890
Glentham GM8803
MetaSci HMDB0001890
Toronto Research Chemicals A172091