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CSS : Summary
Code
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CSS
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One-letter code
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C
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Molecule name
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S-MERCAPTOCYSTEINE
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Systematic names
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Formula
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C3 H7 N O2 S2
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Formal charge
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0
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Molecular weight
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153.223 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)CSS |
SMILES
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CACTVS |
3.341 |
N[CH](CSS)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)SS |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CSS)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@@H](C(=O)O)N)SS |
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IUPAC InChI | InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 |
IUPAC InChI key | XBKONSCREBSMCS-REOHCLBHSA-N |
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wwPDB Information |
Atom count
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15 (8 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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CYS
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Defined at
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1999-07-08
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Last modified at
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2023-11-03
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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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