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- ChemComp-DCL: 2-AMINO-4-METHYL-PENTAN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: DCL
NameName: 2-amino-4-methyl-pentan-1-ol / Synonyms: LEUCINOL

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Chemical information

Composition
Formula: C6H15NO / Number of atoms: 23 / Formula weight: 117.189 / Formal charge: 0
Others

1ebk

2LU

Type: peptide-like / PDB classification: HETAIN / One letter code: X / Three letter code: DCL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1EBK / Replaces: 2LU
History
Create componentNov 10, 1999
Modify descriptorJun 4, 2011
Modify synonymsJul 8, 2011
Modify synonymsJun 5, 2020
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

ACDLabs 12.01OCC(N)CC(C)C
CACTVS 3.370CC(C)C[CH](N)CO
OpenEye OEToolkits 1.7.2CC(C)CC(CO)N

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SMILES CANONICAL

CACTVS 3.370CC(C)C[C@H](N)CO
OpenEye OEToolkits 1.7.2CC(C)C[C@@H](CO)N

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InChI

InChI 1.03InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1

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InChIKey

InChI 1.03VPSSPAXIFBTOHY-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-amino-4-methylpentan-1-ol
OpenEye OEToolkits 1.7.2(2S)-2-azanyl-4-methyl-pentan-1-ol

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PDB entries

Showing all 5 items

PDB-4y3y:
Endothiapepsin in complex with fragment B42

PDB-7nu0:
Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant in Complex with ATP and L-leucinol

PDB-7nu3:
Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol

PDB-7nu9:
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP and L-leucinol

PDB-7nuc:
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant in Complex with ATP and L-leucinol

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