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- ChemComp-THC: N-METHYLCARBONYLTHREONINE -

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Basic information

EntryDatabase: PDB chemical components / ID: THC
NameName: N-methylcarbonylthreonine

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Chemical information

Composition
Formula: C6H11NO4 / Number of atoms: 22 / Formula weight: 161.156 / Formal charge: 0
Others

1a7c

THR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: T / Three letter code: THC / Model coordinates PDB-ID: 1A7C / Parent comp.: THR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
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 10.04O=C(O)C(NC(=O)C)C(O)C
CACTVS 3.341C[CH](O)[CH](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)NC(=O)C)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1

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InChIKey

InChI 1.03PEDXUVCGOLSNLQ-WUJLRWPWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-acetyl-L-threonine
OpenEye OEToolkits 1.5.0(2S,3R)-2-acetamido-3-hydroxy-butanoic acid

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PDB entries

Showing all 1 items

PDB-8qeg:
Crystal structure of the G11 protein heterotrimer bound to YM-254890 inhibitor

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