(R)-3-Hydroxybutanoic acid - 10mM in DMSO , CAS No.625-72-9

CAS: 625-72-9 Cat. No.: R425172 Formula: C₄H₈O₃ Peso molecolare: 104.1 Numero EC: 210-909-6

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

Q27075135 | (-)-beta-Hydroxybutyrate, D- | Hydantoin, 5-isobutyl-3-phenyl-2-thio- | .BETA.-HYDROXYBUTYRIC ACID L-FORM [MI] | 3-(R)-Hydroxybutyric acid | 3-D-hydroxybutyric acid | (R)-(-)-3-Hydroxybutyric acid | (R)-(-)-beta-Hydroxybutyric acid | delta-3-h

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

3-hydroxybutyric acid is involved in the synthesis and degradation of ketone bodies. Like the other ketone bodies (acetoacetate and acetone), levels of beta-hydroxybutyrate are raised in the blood and urine in ketosis. Beta-hydroxybutyrate is a typical partial-degradation product of branched-chain amino acids (primarily valine) released from muscle for hepatic and renal gluconeogenesis.

Specifiche

Sinonimi

Q27075135 | (-)-beta-Hydroxybutyrate, D- | Hydantoin, 5-isobutyl-3-phenyl-2-thio- | .BETA.-HYDROXYBUTYRIC ACID L-FORM [MI] | 3-(R)-Hydroxybutyric acid | 3-D-hydroxybutyric acid | (R)-(-)-3-Hydroxybutyric acid | (R)-(-)-beta-Hydroxybutyric acid | delta-3-h

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

Pubchem Sid

528753231

Sorrisi canonici

CC(CC(=O)O)O

IUPAC Name

(3R)-3-hydroxybutanoic acid

InChIKey

WHBMMWSBFZVSSR-GSVOUGTGSA-N

INCHI

1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

Isomeri SMILES

C[C@H](CC(=O)O)O

Peso molecolare

104.1

Reaxy-Rn

773861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: Hydroxy fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (0 Activities)

Discover Target: HCAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 112 °C
• Punto di ebollizione (°C): 92 °C/0.08 mmHg
• Punto di fusione (°C): 43-50°C
• Peso molecolare: 104.100 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1