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- ChemComp-ALO: ALLO-THREONINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ALO
NameName: allo-threonine

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Chemical information

Composition
Formula: C4H9NO3 / Number of atoms: 17 / Formula weight: 119.119 / Formal charge: 0
Others

1hdt

THR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: T / Three letter code: ALO / Model coordinates PDB-ID: 1HDT / Parent comp.: THR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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)C(O)C
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O

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SMILES CANONICAL

CACTVS 3.341C[C@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](C(=O)O)N)O

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InChI

InChI 1.03InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1

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InChIKey

InChI 1.03AYFVYJQAPQTCCC-HRFVKAFMSA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-allothreonine
OpenEye OEToolkits 1.5.0(2S,3S)-2-amino-3-hydroxy-butanoic acid

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PDB entries

Showing all 4 items

PDB-2vmx:
Crystal structure of F351GbsSHMT in complex with L-allo-Thr

PDB-2w7g:
Crystal structure of Y51FbsSHMT L-allo-Threonine extrnal aldimine

PDB-2w7l:
Crystal structure of Y61AbsSHMT L-allo-Threonine external aldimine

PDB-5k50:
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms

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