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- ChemComp-FT6: 6-FLUORO-L-TRYPTOPHAN -

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Basic information

EntryDatabase: PDB chemical components / ID: FT6
NameName: 6-fluoro-L-tryptophan
Synonyms: (S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID

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Chemical information

Composition
Formula: C11H11FN2O2 / Number of atoms: 27 / Formula weight: 222.216 / Formal charge: 0
Others

2nw9

TRP

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: W / Three letter code: FT6 / Model coordinates PDB-ID: 2NW9 / Parent comp.: TRP
History
Create componentNov 20, 2006
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / 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 10.04O=C(O)C(N)Cc2c1ccc(F)cc1nc2
CACTVS 3.341N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1

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InChIKey

InChI 1.03YMEXGEAJNZRQEH-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 10.046-fluoro-L-tryptophan
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

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PDB entries

Showing all 2 items

PDB-2nw9:
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13

PDB-6fw9:
Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 6-Fluoro-L-Tryptophan

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