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- ChemComp-SKG: 4-methylisoleucine -

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Basic information

EntryDatabase: PDB chemical components / ID: SKG
NameName: 4-methylisoleucine / Synonyms: 2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

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Chemical information

Composition
Formula: C7H15NO2 / Number of atoms: 25 / Formula weight: 145.199 / Formal charge: 0
Others

6w3o

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: SKG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6W3O
History
Create componentMar 10, 2020
Initial releaseMay 20, 2020
Modify synonymsMar 13, 2021
Modify backboneNov 3, 2023
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

CACTVS 3.385CC(C)[CH](C)[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)C(C)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385CC(C)[C@H](C)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H]([C@@H](C(=O)O)N)C(C)C

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InChI

InChI 1.03InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1

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InChIKey

InChI 1.03VFEDCKXLINRKLV-WDSKDSINSA-N

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PDB entries

Showing all 1 items

PDB-6w3o:
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine

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