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- ChemComp-F3M: methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate -

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Basic information

EntryDatabase: PDB chemical components / ID: F3M
NameName: methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate

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Chemical information

Composition
Formula: C6H10F3NO3 / Number of atoms: 23 / Formula weight: 201.144 / Formal charge: 0
Others

1xe5

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: F3M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1XE5
History
Create componentJul 9, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / 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 11.02O=C(OC)CC(O)C(N)C(F)(F)F
CACTVS 3.352COC(=O)C[CH](O)[CH](N)C(F)(F)F
OpenEye OEToolkits 1.7.0COC(=O)CC(C(C(F)(F)F)N)O

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SMILES CANONICAL

CACTVS 3.352COC(=O)C[C@H](O)[C@@H](N)C(F)(F)F
OpenEye OEToolkits 1.7.0COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O

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InChI

InChI 1.03InChI=1S/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1

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InChIKey

InChI 1.03ZVARBPCHAKEWAX-WVZVXSGGSA-N

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SYSTEMATIC NAME

ACDLabs 11.02methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate
OpenEye OEToolkits 1.6.1methyl (3S,4R)-4-azanyl-5,5,5-trifluoro-3-hydroxy-pentanoate

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