3-Hydroxybutyric acid - CAS 300-85-6
Catalog: |
BB020443 |
Product Name: |
3-Hydroxybutyric acid |
CAS: |
300-85-6 |
Synonyms: |
3-hydroxybutanoic acid |
Application: |
Ingredient of health care products. |
IUPAC Name: | 3-hydroxybutanoic acid |
Description: | 3-Hydroxybutanoic acid is a ketone body that is synthsized from acetyl-CoA in the liver. It provides brain with energy when the blood glucose is low. It also acts as an inhibitor of HDAC. Nutritional supplement in health care products. |
Molecular Weight: | 104.10 |
Molecular Formula: | C4H8O3 |
Canonical SMILES: | CC(CC(=O)O)O |
InChI: | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) |
InChI Key: | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
Boiling Point: | 118-120 °C (2 torr) |
Purity: | 98 % |
Density: | 1.126 g/mL at 25°C(lit.) |
Appearance: | Clear colourless oil |
MDL: | MFCD00004546 |
LogP: | -0.15810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113481221-A | Coding gene SOD in blood related to milk cow ketosis and PCR detection kit thereof | 20210827 |
CN-113502250-A | Ralstonia strain and application, acquisition and control effect evaluation method thereof | 20210802 |
CN-113461926-A | Chemical synthesis method of poly beta-hydroxy fatty acid ester | 20210730 |
CN-113416789-A | Molecular marker related to concentration of beta-hydroxybutyric acid in milk cow blood and application thereof | 20210727 |
CN-113252538-A | Method for rapidly detecting content of intracellular polyhydroxy fatty acid ester | 20210715 |
PMID | Publication Date | Title | Journal |
32634519 | 20200901 | Comparative proteomic analysis of SLC13A5 knockdown reveals elevated ketogenesis and enhanced cellular toxic response to chemotherapeutic agents in HepG2 cells | Toxicology and applied pharmacology |
31332890 | 20190901 | β-Hydroxybutyrate exacerbates lipopolysaccharide/ d-galactosamine-induced inflammatory response and hepatocyte apoptosis in mice | Journal of biochemical and molecular toxicology |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
29738703 | 20180601 | High fat diet induced obesity is mitigated in Cyp3a-null female mice | Chemico-biological interactions |
27816970 | 20170404 | HMGCS2 enhances invasion and metastasis via direct interaction with PPARα to activate Src signaling in colorectal cancer and oral cancer | Oncotarget |
Complexity: | 69.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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