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- ChemComp-3HL: (3S)-3-HYDROXYBUTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: 3HL
NameName: (3S)-3-hydroxybutanoic acid

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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: 3HL / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentFeb 15, 2007
Modify descriptorJun 4, 2011
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)CC(O)C
CACTVS 3.341C[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@H](O)CC(O)=O
OpenEye OEToolkits 1.5.0C[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-/m0/s1

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InChIKey

InChI 1.03WHBMMWSBFZVSSR-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3S)-3-hydroxybutanoic acid
OpenEye OEToolkits 1.5.0(3S)-3-hydroxybutanoic acid

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PDB entries

Showing all 5 items

PDB-2ecq:
Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 3-Hydroxylactate

PDB-2ztl:
Closed conformation of D-3-hydroxybutyrate dehydrogenase complexed with NAD+ and L-3-hydroxybutyrate

PDB-2ztm:
T190S mutant of D-3-hydroxybutyrate dehydrogenase

PDB-5lbg:
Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with faropenem-derived adduct at the active site cysteine-354

PDB-6hdy:
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with S3-HB-AMP

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