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SC2 : Summary
Code
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SC2
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One-letter code
|
X
|
Molecule name
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N-ACETYL-L-CYSTEINE
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Systematic names
|
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Formula
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C5 H9 N O3 S
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Formal charge
|
0
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Molecular weight
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163.195 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(NC(C(=O)O)CS)C |
SMILES
|
CACTVS |
3.370 |
CC(=O)N[CH](CS)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CC(=O)NC(CS)C(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
CC(=O)N[C@@H](CS)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CC(=O)N[C@@H](CS)C(=O)O |
|
IUPAC 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 |
IUPAC InChI key | PWKSKIMOESPYIA-BYPYZUCNSA-N |
Has sub-components |
ACE
,
CYS
|
|
wwPDB Information |
Atom count
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19 (10 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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peptide-like
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2006-08-11
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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