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- ChemComp-MMN: 5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL -

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Basic information

EntryDatabase: PDB chemical components / ID: MMN
NameName: 5-deoxy-5-{[(1S)-1-hydroxyethyl]amino}-D-glucitol / Synonyms: N-ACETYLMANNOSAMINITOL

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Chemical information

Composition
Formula: C8H19NO6 / Number of atoms: 34 / Formula weight: 225.24 / Formal charge: 0
Others

1xuz

Type: SACCHARIDE / PDB classification: ATOMS / Three letter code: MMN / Model coordinates PDB-ID: 1XUZ
History
Create componentOct 27, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC(C(NC(O)C)CO)C(O)C(O)CO
CACTVS 3.341C[CH](O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0CC(NC(CO)C(C(C(CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@H](O)N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1

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InChIKey

InChI 1.03OUBSZQOZVSSBQR-SLBCVNJHSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-deoxy-2-{[(1S)-1-hydroxyethyl]amino}-D-mannitol
OpenEye OEToolkits 1.5.0(2R,3S,4R,5R)-5-(1-hydroxyethylamino)hexane-1,2,3,4,6-pentol

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PDB entries

Showing all 1 items

PDB-1xuz:
Crystal structure analysis of sialic acid synthase (NeuB)from Neisseria meningitidis, bound to Mn2+, Phosphoenolpyruvate, and N-acetyl mannosaminitol

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