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CSA : Summary
Code ![](/pdbe/static/images/help.png)
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CSA
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One-letter code ![](/pdbe/static/images/help.png)
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C
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Molecule name ![](/pdbe/static/images/help.png)
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S-ACETONYLCYSTEINE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H11 N O3 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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177.221 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)CSCC(=O)C |
SMILES
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CACTVS |
3.341 |
CC(=O)CSC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)CSCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)CSC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)CSC[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BYMSHHJFWDLNBG-YFKPBYRVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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CYS
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Defined at ![](/pdbe/static/images/help.png)
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2000-09-18
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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