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- ChemComp-LRY: N-acetylmannosamine-6-phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: LRY
NameName: N-acetylmannosamine-6-phosphate

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Chemical information

Composition
Formula: C8H16NO9P / Number of atoms: 35 / Formula weight: 301.188 / Formal charge: 0
Others

4utu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LRY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UTU
History
Create componentJul 23, 2014
Initial releaseOct 15, 2014
External linksUniChem / ChemSpider / ChEBI / Metabolights / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / 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 12.01O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O)O
CACTVS 3.385CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03QDSLHWJDSQGPEE-WCTZXXKLSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(acetylamino)-2-deoxy-6-O-phosphono-D-mannose
OpenEye OEToolkits 1.7.6[(2R,3S,4R,5S)-5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexyl] dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-4utu:
Structural and biochemical characterization of the N- acetylmannosamine-6-phosphate 2-epimerase from Clostridium perfringens

PDB-5zjn:
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate

PDB-7mfs:
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with substrate and product bound

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