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5-Octyl-α-ketoglutarate

CAT: 0013-GTR19191070-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191070-01Size:1 mg
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Description
5-Octyl-α-ketoglutarate is a cell-permeable ester that elevates intracellular α-ketoglutarate levels. This compound is widely used in research to study the modulation of metabolic enzymes and signaling pathways, particularly in cancer, hypoxia, and glycolysis, in both in vitro and in vivo experimental models.
CAS Number
1616344-00-3
Field of Research
Epigenetics & Chromatin, Protein Biochemistry
Smiles
C (C (OCCCCCCCC) =O) CC (C (O) =O) =O
Molecular Formula
C13H22O5
Molecular Weight
258.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Octyl-alpha-ketoglutarate
CAS Number1616344-00-3
PubChem CID118311168
IUPAC Name5-octoxy-2,5-dioxopentanoic acid
Molecular FormulaC13H22O5
Molecular Weight258.31
XLogP2.8
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
CCCCCCCCOC(=O)CCC(=O)C(=O)O
InChI
InChI=1S/C13H22O5/c1-2-3-4-5-6-7-10-18-12(15)9-8-11(14)13(16)17/h2-10H2,1H3,(H,16,17)
InChIKey
SZEOIQZPNSBRJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Octyl-alpha-ketoglutarate
CAS: 1616344-00-3
CID: 118311168
Formula: C13H22O5
MW: 258.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.31
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass258.14672380
Monoisotopic Mass258.14672380
Topological Polar Surface Area80.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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