Marvin  12020711332D          

 10  9  0  0  1  0            999 V2000
   -1.4289   -0.1650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  3  2  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  1  0  0  0
  5  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <ID>
CHEBI:28939

> <NAME>
N-acetyl-L-cysteine

> <DEFINITION>
An  N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45481; CHEBI:2418; CHEBI:21548

> <SYNONYM>
NAC; N-acetylcysteine; N-ACETYL-L-CYSTEINE; N-acetyl-L-(+)-cysteine; mercapturic acid; L-alpha-acetamido-beta-mercaptopropionic acid; L-acetylcysteine; Acetylcysteine; (R)-mercapturic acid; (R)-2-acetylamino-3-mercaptopropanoic acid; (2R)-2-acetylamino-3-sulfanylpropanoic acid

> <IUPAC_NAME>
N-acetyl-L-cysteine

> <INN>
acetylcysteinum; acetilcisteina

> <FORMULA>
C5H9NO3S

> <MASS>
163.19590

> <MONOISOTOPIC_MASS>
163.03031

> <CHARGE>
0

> <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)/t4-/m0/s1

> <INCHIKEY>
PWKSKIMOESPYIA-BYPYZUCNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724426

> <CAS_REGISTRY_NUMBER>
616-91-1

> <GMELIN_REGISTRY_NUMBER>
142554

> <REAXYS_REGISTRY_NUMBER>
1724426

> <CHEMIDPLUS>
616-91-1

> <DRUGBANK_ACCESSION>
DB06151

> <KEGG_COMPOUND_ACCESSION>
C06809

> <KEGG_DRUG_ACCESSION>
D00221

> <LINCS_ACCESSION>
LSM-4672

> <METACYC_ACCESSION>
CPD-9175

> <NIST_CHEMISTRY_WEBBOOK>
616-91-1

> <PDBECHEM_ACCESSION>
SC2

> <WIKIPEDIA_ACCESSION>
Acetylcysteine

> <PUBMED_CITATION>
10651166; 11544433; 12057717; 15025780; 15647642; 17174578; 19580823; 2026726; 20819793; 24119926; 25553484; 9624310; 9711192

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