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- ChemComp-F3T: 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: F3T
NameName: 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid

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Chemical information

Composition
Formula: C5H8F3NO3 / Number of atoms: 20 / Formula weight: 187.117 / Formal charge: 0
Others

1xe6

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: F3T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1XE6
History
Create componentJul 9, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 11.02FC(F)(F)C(N)C(O)CC(=O)O
CACTVS 3.352N[CH]([CH](O)CC(O)=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(C(C(C(F)(F)F)N)O)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H8F3NO3/c6-5(7,8)4(9)2(10)1-3(11)12/h2,4,10H,1,9H2,(H,11,12)/t2-,4+/m0/s1

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InChIKey

InChI 1.03RLFDKCZBPFUOAZ-ZAFYKAAXSA-N

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SYSTEMATIC NAME

ACDLabs 11.024-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid
OpenEye OEToolkits 1.6.1(3S,4R)-4-azanyl-5,5,5-trifluoro-3-hydroxy-pentanoic acid

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