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MPO : Summary
Code
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MPO
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One-letter code
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X
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Molecule name
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3[N-MORPHOLINO]PROPANE SULFONIC ACID
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Systematic names
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Formula
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C7 H15 N O4 S
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Formal charge
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0
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Molecular weight
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209.263 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(O)CCCN1CCOCC1 |
SMILES
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CACTVS |
3.341 |
O[S](=O)(=O)CCCN1CCOCC1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1COCCN1CCCS(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[S](=O)(=O)CCCN1CCOCC1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1COCCN1CCCS(=O)(=O)O |
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IUPAC InChI | InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) |
IUPAC InChI key | DVLFYONBTKHTER-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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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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2000-05-16
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Last modified at
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2011-06-04
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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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