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MUR : Summary
Code
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MUR
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One-letter code
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X
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Molecule name
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beta-muramic acid
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Synonyms
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muramic acid
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Systematic names
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Formula
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C9 H17 N O7
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Formal charge
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0
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Molecular weight
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251.234 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(OC1C(O)C(OC(O)C1N)CO)C |
SMILES
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CACTVS |
3.341 |
C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N |
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IUPAC InChI | InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1 |
IUPAC InChI key | MSFSPUZXLOGKHJ-KTZFPWNASA-N |
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wwPDB Information |
Atom count
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34 (17 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, beta linking
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Type code
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ATOMS
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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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1999-07-08
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Last modified at
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2020-07-17
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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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