Compound: 3-hydroxybutyric acid
SMILES: O=C(O)CC(O)C
InChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-N
Synonyms: 3-hydroxybutyric acid, 3-hydroxybutanoic acid, 300-85-6, Butanoic acid, 3-hydroxy-, beta-Hydroxybutyric acid, 3 HBA, 3-Hydroxybuttersaeure, DL-beta-Hydroxybutyric acid, beta-Hydroxybuttersaeure, beta-Hydroxy-n-butyric acid, 3-hydroxy-butanoic acid, beta-hydroxy-butyrate, (1)-3-Hydroxybutyric acid, Hydroxybutyric acid, dl-, NSC-3806, TZP1275679, CHEBI:20067, DTXSID60859511, 3 Hydroxybutyric Acid, beta Hydroxybutyric Acid, RefChem:911394, DTXCID00209697, 3-HYDROXYBUTYRIC ACID, (A+-)-, 206-099-9, 210-908-0, 625-71-8, DL-3-Hydroxybutyric Acid, Butyric acid, 3-hydroxy-, beta-hydroxybutyrate, 26063-00-3, .beta.-Hydroxybutyric acid, MFCD00004546, D,l-3 hydroxybutyrate, beta-hydroxybutanoic acid, NSC 3806, d,l-3-hydroxybutyric acid, (+-)-3-Hydroxybutyric acid, .beta.-Hydroxy-n-butyric acid, AI3-21675, (+/-)-3-Hydroxybutyric Acid, (+/-)-3-Hydroxybutanoic acid, D(-)-beta-hydroxy butyric acid, 3-hydroxybutyric acid, (+/-)-, Butyric acid, 3-hydroxy- (8CI), 3-Hydroxybutanoic Acid + 3-(3-Hydroxybutyryloxy)butyric Acid (CAS:7565-79-9) (50:50 Mixture), SMR000112209, (+/-)-3-Hydroxybutyric Acid (Technical Grade), UNII-TZP1275679, EINECS 206-099-9, EINECS 210-908-0, 3-OH-butyric acid, BHBA, 3- hydroxybutyric acid, 3-hydroxy-butyric acid, DL-3-HydroxybutyricAcid, DL-?-Hydroxybutyric acid, bmse000161, bmse000905, SCHEMBL2731, (RS)-3-hydroxybutyric acid, SCHEMBL35749, SCHEMBL35751, (+/-)-beta-Hydroxybutyrate, MLS001332397, MLS001332398, 3-Hydroxybutyric acid, 95%, DL-.beta.-Hydroxybutyric acid, orb1302428, SCHEMBL4112703, SCHEMBL4745901, SCHEMBL8413483, CHEMBL1162496, .BETA.HYDROXYBUTYRIC ACID, NSC3806, (.+/-.)-3-Hydroxybutyric acid, 3-Hydroxybutyric acid, tech grade, HMS2270C20, HMS3369F13, BBL027467, EBC-50081, HB4640, LMFA01050005, s1031, SBB065815, STL377875, AKOS009156821, AB88579, AC-5701, FH30882, SB44475, .BETA.-HYDROXYBUTYRIC ACID [MI], BETA-HYDROXYBUTYRIC ACID [WHO-DD], FP179872, SY074781, VS-08544, HY-113378, CS-0062335, H0228, NS00014717, Poly(3-hydroxybutyric acid), MW~500,000, D84191, EN300-147463, Poly[(R)-3-hydroxybutyrate], Mn ~500,000, F546496, Q223092, BRD-A41387824-001-06-0, 869DD3C9-3114-4BE2-B4A6-6F1787476E95, DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product)
Theoretical properties:
molecular_formula: C4H8O3
molecular_weight: 104.10 g/mol
exact_mass: 104.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-hydroxybutyric acid is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. It has a role as a human metabolite. It is a hydroxybutyric acid, a 3-hydroxy monocarboxylic acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-hydroxybutyrate.
chebi: A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.
chembl: 3-HYDROXYBUTYRIC ACID, (+/-)- is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: β-Hydroxybutyric acid, also known as 3-hydroxybutyric acid or BHB, is an organic compound and a beta hydroxy acid with the chemical formula CH3CH(OH)CH2CO2H; its conjugate base is β-hydroxybutyrate, also known as 3-hydroxybutyrate. β-Hydroxybutyric acid is a chiral compound with two enantiomers: D-β-hydroxybutyric acid and L-β-hydroxybutyric acid. Its oxidized and polymeric derivatives occur widely in nature. In humans, D-β-hydroxybutyric acid is one of two primary endogenous agonists of hydroxycarboxylic acid receptor 2 (HCA2), a Gi/o-coupled G protein-coupled receptor (GPCR).