MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N-acetyl-L-cysteine

	Properties	Image
MNX_ID	MNXM98606
reference	chebi:78236
formula	C₅H₈NO₃S
global charge	-1
mol weight	162.19
InChIKey	PWKSKIMOESPYIA-BYPYZUCNSA-M
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
SMILES	CC(=O)N[C@@H](CS)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
SMILES (mnx)	[CH3:1][C:3](=[N:6][C@@H:4]([CH2:2][SH:10])[C:5](=[O:8])[OH:9])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9753926 reactomeM:R-ALL-9753926 CHEBI:78236 chebi:78236 PWKSKIMOESPYIA-BYPYZUCNSA-M	N-acetyl-L-cysteine (2R)-2-acetamido-3-sulfanylpropanoate N-acetyl-L-cysteinate
kegg.drug:D00221 keggD:D00221 PWKSKIMOESPYIA-BYPYZUCNSA-N	Acetylcysteine (JP18/USP/INN) Mucomyst (TN)
hmdb:HMDB0001890 PWKSKIMOESPYIA-BYPYZUCNSA-N	Acetylcysteine (2R)-2-Acetylamino-3-sulfanylpropanoate (2R)-2-Acetylamino-3-sulfanylpropanoic acid (2R)-2-Acetylamino-3-sulphanylpropanoate (2R)-2-Acetylamino-3-sulphanylpropanoic acid (2R)-2-acetamido-3-sulfanylpropanoic acid (R)-2-Acetylamino-3-mercaptopropanoate (R)-2-Acetylamino-3-mercaptopropanoic acid (R)-Mercaptate (R)-Mercaptic acid (R)-Mercapturic acid 2-acetylamino-3-mercapto-Propionate 2-acetylamino-3-mercapto-Propionic acid Ac pharma brand OF acetylcysteine Ac-pharma brand OF acetylcysteine Acebraus Acemuc Acetabs Acetadote Acetilcisteina Acetylcystein al Acetylcystein atid Acetylcystein heumann Acetylcystein trom Acetylcystein, mentopin Acetylcysteine GNR Acetylcysteine GNR-pharma brand Acetylcysteine ac-pharma brand Acetylcysteine alcon brand Acetylcysteine aluid brand Acetylcysteine atid brand Acetylcysteine azupharma brand Acetylcysteine betapharm brand Acetylcysteine bioiberica brand Acetylcysteine bouchara brand Acetylcysteine centrafarm brand Acetylcysteine disphar brand Acetylcysteine farmasan brand Acetylcysteine fresenius brand Acetylcysteine genevrier brand Acetylcysteine guerbet brand Acetylcysteine hermes brand Acetylcysteine heumann brand Acetylcysteine hydrochloride Acetylcysteine inpharzam brand Acetylcysteine intra brand Acetylcysteine klinge brand Acetylcysteine krewel brand Acetylcysteine lichtenstein brand Acetylcysteine lindopharm brand Acetylcysteine merck brand Acetylcysteine oberlin brand Acetylcysteine pfleger brand Acetylcysteine pharbita brand Acetylcysteine roberts brand Acetylcysteine sodium Acetylcysteine temmler brand Acetylcysteine teva brand Acetylcysteine thiemann brand Acetylcysteine trommsdorff brand Acetylcysteine upsa brand Acetylcysteine whitehall brand Acetylcysteine zambon brand Acetylcysteine zinc Acetylcysteine zyma brand Acetylcysteine, (D)-isomer Acetylcysteine, (DL)-isomer Acetylcysteine, monoammonium salt Acetylcysteine, monosodium salt Acetylcysteinum Acetylin Acetyst Acid, mercapturic Airbron Alcon brand OF acetylcysteine Allen and hanburys brand OF acetylcysteine Aluid brand OF acetylcysteine Alveolex Atid brand OF acetylcysteine Azubronchin Azupharma brand OF acetylcysteine Betapharm brand OF acetylcysteine Bioiberica brand OF acetylcysteine Bisolvon nac Boehringer ingelheim brand OF acetylcysteine Bouchara brand OF acetylcysteine Bristol myers squibb brand OF acetylcysteine Bristol myers squibb brand OF acetylcysteine sodium salt Bristol-myers squibb brand OF acetylcysteine Bristol-myers squibb brand OF acetylcysteine sodium salt Bromuc BronchoFips Broncholysin Broncoclar Centrafarm brand OF acetylcysteine Codotussyl Cystamucil Dey brand OF acetylcysteine sodium salt Disphar brand OF acetylcysteine Durabronchal Eurespiran Exomuc Fabrol Farmasan brand OF acetylcysteine Fluimicil infantil Fluimucetin Fluimucil Flumucetin Fluprowit Frekatuss Fresenius brand OF acetylcysteine GNR Pharma brand OF acetylcysteine GNR-Pharma brand OF acetylcysteine Genac Genevrier brand OF acetylcysteine Guerbet brand OF acetylcysteine Hermes brand OF acetylcysteine Heumann brand OF acetylcysteine Hoestil Hustengetraenk, optipect Hydrochloride, acetylcysteine Ilube Inpharzam brand OF acetylcysteine Intra brand OF acetylcysteine Jenacystein Jenapharm Klinge brand OF acetylcysteine Krewel brand OF acetylcysteine L-Acetylcysteine L-a-Acetamido-b-mercaptopropionate L-a-Acetamido-b-mercaptopropionic acid L-alpha-Acetamido-beta-mercaptopropionate L-alpha-Acetamido-beta-mercaptopropionic acid L-alpha-acetamido-beta-mercaptopropionate L-alpha-acetamido-beta-mercaptopropionic acid Lantamed Larylin nac Lichtenstein brand OF acetylcysteine Lindocetyl Lindopharm brand OF acetylcysteine MPectil Mentopin acetylcystein Mercaptate Mercaptic acid Mercapturic acid Merck brand OF acetylcysteine Monoammonium salt acetylcysteine Monosodium salt acetylcysteine Muciteran Mucomyst Mucopect, dampo Mucosil Mucosol Mucosolvin N Acetyl L cysteine N Acetylcysteine N-Acety-L-cysteine N-Acetyl-3-mercaptoalanine N-Acetyl-L-(+)-cysteine N-Acetylcysteine NAC NAC al NAC zambon NAC, bisolvon Oberlin brand OF acetylcysteine Optipect hustengetraenk Pfleger brand OF acetylcysteine Pharbita brand OF acetylcysteine Produpharm lappe brand OF acetylcysteine Roberts brand OF acetylcysteine Roche nicholas brand OF acetylcysteine Sanigen, muco Siccoral Siran Sodium 2-acetamido-3-mercaptopropionate Sodium, acetylcysteine Solmucol Temmler brand OF acetylcysteine Teva brand OF acetylcysteine Thiemann brand OF acetylcysteine Trommsdorff brand OF acetylcysteine UPSA brand OF acetylcysteine Whitehall brand OF acetylcysteine Zambon brand OF acetylcysteine Zambon, nac Zinc, acetylcysteine Zyma brand OF acetylcysteine acetylcysteine broncho Fips broncho-Fips dampo Mucopect m Pectil m-Pectil muco Sanigen
kegg.compound:C06809 keggC:C06809 PWKSKIMOESPYIA-BYPYZUCNSA-N	Acetylcysteine N-Acetyl-L-cysteine
seed.compound:cpd04181 seedM:cpd04181 PWKSKIMOESPYIA-BYPYZUCNSA-L	Acetylcysteine N-Acetyl-L-cysteine N-acetyl-L-cysteine acetylcysteine
sabiork.compound:23198 sabiorkM:23198 PWKSKIMOESPYIA-BYPYZUCNSA-N	N-Acetyl-L-cysteine
sabiork.compound:8936 sabiorkM:8936 PWKSKIMOESPYIA-BYPYZUCNSA-N	N-Acetylcysteine Acetylcysteine
bigg.metabolite:CE1310 biggM:CE1310 PWKSKIMOESPYIA-BYPYZUCNSA-M	N-acetyl-L-cysteine
vmhM:CE1310 vmhmetabolite:CE1310 PWKSKIMOESPYIA-BYPYZUCNSA-M	N-acetyl-L-cysteine (2R)-2-acetamido-3-sulfanylpropanoic acid
CHEBI:28939 chebi:28939 PWKSKIMOESPYIA-BYPYZUCNSA-N	N-acetyl-L-cysteine (2R)-2-acetylamino-3-sulfanylpropanoic acid (R)-2-acetylamino-3-mercaptopropanoic acid (R)-mercapturic acid Acetylcysteine L-acetylcysteine L-alpha-acetamido-beta-mercaptopropionic acid N-ACETYL-L-CYSTEINE N-acetyl-L-(+)-cysteine N-acetylcysteine NAC acetilcisteina acetylcysteinum mercapturic acid
metacyc.compound:CPD-9175 metacycM:CPD-9175 PWKSKIMOESPYIA-BYPYZUCNSA-M	N-acetyl-L-cysteine acetylcysteine
hmdb:HMDB01890 chebi:21548 chebi:2418 chebi:45481 biggM:M_CE1310 keggC:M_C06809 keggD:M_D00221 seedM:M_cpd04181 vmhM:M_CE1310	secondary/obsolete/fantasy identifier