3-Hydroxybutyric acid

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Systematic / IUPAC Name: 3-Hydroxybutanoic acid

ID: Reference199

Other Names: Butanoic acid, 3-hydroxy-;
β-Hydroxybutyric acid;
β-Hydroxy-n-butyric acid;
β-Hydroxybutanoic acid;
β-Hydroxybutyrate ; more

Formula: C4H8O3

Class: Endogenous Metabolites

Spectral Data

3-Hydroxybutyric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 344
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/10/2016 1:05:06 PM
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Identificators

InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChI Key WHBMMWSBFZVSSR-UHFFFAOYSA-N
Canonical SMILES CC(CC(=O)O)O
CAS 300856
Splash
Other Names Butanoic acid, 3-hydroxy-;
β-Hydroxybutyric acid;
β-Hydroxy-n-butyric acid;
β-Hydroxybutanoic acid;
β-Hydroxybutyrate;
3-Hydroxybutyrate;
3-HBA;
BHBA

In Other Databases

ChEBI CHEBI:20067
ChemIDPlus 000300856; 000306310; 000150834; 026063003; 080181313; 117068641
HMDb HMDB00357
ChEMBL CHEMBL1162496
LipidsMAPs LMFA01050005
PubChem 441
ChemSpider 428
Wikipedia Beta-Hydroxybutyric acid