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Chemical structure of 5-Octyl-α-ketoglutarate

GC41310

5-Octyl-α-ketoglutarate

Also known as 5-octoxy-2,5-dioxopentanoic acid

In addition to its role in the Krebs cycle, α-ketoglutarate (2-oxoglutarate) has roles as a substrate or modulator of enzymes

ChemicalCAS1616344-00-3MW258.3FormulaC13H22O5
CAS number
1616344-00-3
Molecular weight
258.3
Formula
C13H22O5
Solubility
DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 20 mg/ml,PBS (pH 7·2): 1 mg/ml
InChIKey
SZEOIQZPNSBRJC-UHFFFAOYSA-N
Catalogue number
GC41310
Brand
GLPBIO
Computed properties PubChem CID 118311168 · XLogP 2.8 · TPSA 80.7 Ų · H-bond donors 1
XLogP
2.8
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
18

SMILES CCCCCCCCOC(=O)CCC(=O)C(=O)O

Computed descriptors from PubChem (CID 118311168), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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