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- ChemComp-3HR: (3R)-3-hydroxybutanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 3HR
NameName: (3R)-3-hydroxybutanoic acid

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Chemical information

Composition
Formula: C4H8O3 / Number of atoms: 15 / Formula weight: 104.105 / Formal charge: 0
Others

3vdr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3HR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VDR
History
Create componentJan 30, 2012
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)CC(O)C
CACTVS 3.370C[CH](O)CC(O)=O
OpenEye OEToolkits 1.7.6CC(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.370C[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.7.6C[C@H](CC(=O)O)O

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InChI

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

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InChIKey

InChI 1.03WHBMMWSBFZVSSR-GSVOUGTGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-3-hydroxybutanoic acid
OpenEye OEToolkits 1.7.6(3R)-3-oxidanylbutanoic acid

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PDB entries

Showing all 5 items

PDB-3vdr:
Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+)

PDB-3w8e:
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate

PDB-5b4t:
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate

PDB-8j6q:
Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex

PDB-9wlv:
The Crystal Structure of Alpha-Beta-fold_hydrolase from Microlunatus sagamiharensis.

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