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- ChemComp-QFH: (2S,3S)-2,3-dihydroxy-2-methylbutanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: QFH
NameName: (2S,3S)-2,3-dihydroxy-2-methylbutanoic acid

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Chemical information

Composition
Formula: C5H10O4 / Number of atoms: 19 / Formula weight: 134.13 / Formal charge: 0
Others

4bt4

Type: non-polymer / PDB classification: HETAIN / Three letter code: QFH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BT4
History
Create componentJun 12, 2013
Initial releaseSep 11, 2013
Modify descriptorSep 5, 2014
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 12.01O=C(O)C(O)(C)C(O)C
CACTVS 3.385C[CH](O)[C](C)(O)C(O)=O
OpenEye OEToolkits 1.9.2CC(C(C)(C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H](O)[C@](C)(O)C(O)=O
OpenEye OEToolkits 1.9.2C[C@@H]([C@@](C)(C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5-/m0/s1

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InChIKey

InChI 1.03AOWPAWLEXIYETE-UCORVYFPSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S,3S)-2,3-dihydroxy-2-methylbutanoic acid
OpenEye OEToolkits 1.9.2(2S,3S)-2-methyl-2,3-bis(oxidanyl)butanoic acid

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PDB entries

Showing all 1 items

PDB-4bt4:
acetolactate decarboxylase with a bound (2S,3S)-2,3-Dihydroxy-2- methylbutanoic acid

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