N-acetyl-L-cysteinate (CHEBI:78236)

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CHEBI:78236 - N-acetyl-L-cysteinate

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ChEBI ID	CHEBI:78236
ChEBI Name	N-acetyl-L-cysteinate
Stars
ASCII Name	N-acetyl-L-cysteinate
Definition	A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified	9 February 2023
Submitter	KAX
Downloads	Molfile

Formula	C5H8NO3S
Net Charge	-1
Average Mass	162.190
Monoisotopic Mass	162.02304
SMILES	CC(=O)N[C@@H](CS)C(=O)[O-]
InChI	InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/p-1/t4-/m0/s1
InChIKey	PWKSKIMOESPYIA-BYPYZUCNSA-M

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	antiviral drug A substance used in the prophylaxis or therapy of virus diseases. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:	vulnerary A drug used in treating and healing of wounds. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. mucolytic A compound that alters the structure of mucus so as to decrease its viscosity and thereby facilitate its removal by ciliary action and expectoration. Compare with antitussives, which suppress the cough reflex, and expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antidote to paracetamol poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen).

ChEBI Ontology

Outgoing Relation(s)
	N-acetyl-L-cysteinate (CHEBI:78236) has role antidote to paracetamol poisoning (CHEBI:74529)
	N-acetyl-L-cysteinate (CHEBI:78236) has role antiinfective agent (CHEBI:35441)
	N-acetyl-L-cysteinate (CHEBI:78236) has role antioxidant (CHEBI:22586)
	N-acetyl-L-cysteinate (CHEBI:78236) has role antiviral drug (CHEBI:36044)
	N-acetyl-L-cysteinate (CHEBI:78236) has role human metabolite (CHEBI:77746)
	N-acetyl-L-cysteinate (CHEBI:78236) has role mucolytic (CHEBI:77034)
	N-acetyl-L-cysteinate (CHEBI:78236) has role vulnerary (CHEBI:73336)
	N-acetyl-L-cysteinate (CHEBI:78236) is a monocarboxylic acid anion (CHEBI:35757)
	N-acetyl-L-cysteinate (CHEBI:78236) is conjugate base of N-acetyl-L-cysteine (CHEBI:28939)
Incoming Relation(s)
	S-substituted N-acetyl-L-cysteinate (CHEBI:58718) has functional parent N-acetyl-L-cysteinate (CHEBI:78236)
	N-acetyl-L-cysteine (CHEBI:28939) is conjugate acid of N-acetyl-L-cysteinate (CHEBI:78236)

IUPAC Name
(2R)-2-acetamido-3-sulfanylpropanoate

UniProt Name	Source
N-acetyl-L-cysteine	UniProt

Manual Xrefs	Databases
CPD-9175	MetaCyc

Registry Numbers	Sources
Reaxys:6327823	Reaxys

Citations