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MRH : Summary
Code 
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MRH
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One-letter code
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X
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Molecule name
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4-acetamido-4,6-dideoxy-alpha-D-mannopyranose
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Synonyms
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alpha-N-Acetylperosamine
4-acetamido-4,6-dideoxy-alpha-D-mannose
4-acetamido-4,6-dideoxy-D-mannose
4-acetamido-4,6-dideoxy-mannose
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Systematic names
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Formula
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C8 H15 N O5
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Formal charge
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0
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Molecular weight
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205.208 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
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CACTVS |
3.385 |
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O |
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SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1C(C(C(C(O1)O)O)O)NC(=O)C |
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Canonical SMILES
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CACTVS |
3.385 |
C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O |
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Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C |
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IUPAC InChI | InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1 |
IUPAC InChI key | LMIZXKMXHCOVTQ-PCRKCNGPSA-N |
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wwPDB Information |
Atom count
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29 (14 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, alpha 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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2019-10-21
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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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Protein Data Bank 
