3-Hydroxybutyrate

3-Hydroxybutyrate bmse000161 - Data bmse000905 - Data bmst000159 - Theory

3_hydroxybutyrate synonyms

3-HYDROXYBUTYRIC ACID; DL-beta-Hydroxybutyric acid; beta-Hydroxy-n-butyric acid; Butanoic acid, 3-hydroxy-; Butyric acid, 3-hydroxy- (8CI); 3 HBA; (1)-3-Hydroxybutyric acid; 3-Hydroxybutanoic acid; beta-Hydroxybuttersaeure; 3-Hydroxybuttersaeure; beta-Hydroxybutyric acid

Wikipedia:

Graphical representations:

3_hydroxybutyrate

View large 3D structure

Molecular Formula: C4H8O3

Natural Isotopic Abundance Mass: 104.1045200000

Mono-Isotopic Molecular Masses:

  • C12N14: 104.047344123
  • C13N14: 108.060763474
  • C12N15: 104.047344123
  • C13N15: 108.060763474

InChI string: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1

IUPAC: 3-hydroxybutanoic acid

PubChem Compound (CID): 441
CAS Registry number: 300-85-6 625-71-8
EINECS: 210-908-0 206-099-9
NSC: 3806
PDB Compound ID: 3HL

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)