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- ChemComp-MN9: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE -

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Basic information

EntryDatabase: PDB chemical components / ID: MN9
NameName: 2-(acetylamino)-2-deoxy-D-mannose

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Chemical information

Composition
Formula: C8H15NO6 / Number of atoms: 30 / Formula weight: 221.208 / Formal charge: 0
Others

2wsg
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: MN9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WSG
History
Create componentSep 5, 2009
Modify descriptorJun 4, 2011
Initial releaseFeb 19, 2014
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 10.04O=CC(NC(=O)C)C(O)C(O)C(O)CO
CACTVS 3.352CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.6.1CC(=O)NC(C=O)C(C(C(CO)O)O)O

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SMILES CANONICAL

CACTVS 3.352CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.6.1CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O

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InChI

InChI 1.03InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03MBLBDJOUHNCFQT-WCTZXXKLSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(acetylamino)-2-deoxy-D-mannose
OpenEye OEToolkits 1.6.1N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]ethanamide

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PDB entries

Showing all 3 items

PDB-4bwl:
Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid

PDB-4woz:
Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine

PDB-6ppz:
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc)

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