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- ChemComp-HIU: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HIU
NameName: (2R)-3-hydroxy-2-methylpropanoic acid / Synonyms: 3-HYDROXYISOBUTYRATE

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Chemical information

Composition
Formula: C4H8O3 / Number of atoms: 15 / Formula weight: 104.105 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: HIU
History
Create componentMar 29, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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(C)CO
CACTVS 3.341C[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(CO)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

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InChIKey

InChI 1.03DBXBTMSZEOQQDU-GSVOUGTGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-3-hydroxy-2-methylpropanoic acid
OpenEye OEToolkits 1.5.0(2R)-3-hydroxy-2-methyl-propanoic acid

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PDB entries

Showing all 4 items

PDB-3bpt:
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin

PDB-5y8j:
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (R)-3-hydroxyisobutyrate (R-HIBA)

PDB-5y8m:
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)

PDB-6hdx:
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with R3-HIB-AMP

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