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060 : Summary
Code
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060
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One-letter code
|
X
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Molecule name
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S-methyl-D-cysteine
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Systematic names
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Formula
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C4 H9 N O2 S
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Formal charge
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0
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Molecular weight
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135.185 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(N)CSC |
SMILES
|
CACTVS |
3.385 |
CSC[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
CSCC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.385 |
CSC[C@@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
CSC[C@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 |
IUPAC InChI key | IDIDJDIHTAOVLG-GSVOUGTGSA-N |
Is part of |
WT4
|
|
wwPDB Information |
Atom count
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17 (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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D-peptide linking
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Type code
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ATOMP
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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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2013-01-25
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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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