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- ChemComp-SC2: N-ACETYL-L-CYSTEINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: SC2
NameName: N-acetyl-L-cysteine / Synonyms: (2R)-2-acetamido-3-sulfanyl-propanoic acid
Commentmedication*YM

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Chemical information

Composition
Formula: C5H9NO3S / Number of atoms: 19 / Formula weight: 163.195 / Formal charge: 0
Others

2j1g

ACE

CYS

1ZT

Type: peptide-like / PDB classification: HETAIN / Three letter code: SC2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2J1G / Subcomponent: ACE, CYS / Replaces: 1ZT
History
Create componentAug 11, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(NC(C(=O)O)CS)C
CACTVS 3.370CC(=O)N[CH](CS)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)NC(CS)C(=O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@@H](CS)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](CS)C(=O)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03PWKSKIMOESPYIA-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-acetyl-L-cysteine
OpenEye OEToolkits 1.7.0(2R)-2-acetamido-3-sulfanyl-propanoic acid

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PDB entries

Showing all 4 items

PDB-207l:
MUTANT HUMAN LYSOZYME C77A

PDB-2j1g:
L-ficolin complexed to N-acetyl-cystein

PDB-2j2p:
L-ficolin complexed to N-acetyl-cystein (150mM)

PDB-5nn4:
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-acetyl-cysteine

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