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Oxoadipic acid

CAT: 0804-HY-113227-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113227-02Size:10 mg
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Description
Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.
CAS Number
3184-35-8
UNSPSC
12352211
Hazard Statement
H315, H319
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Oxoadipic_acid.html
Concentration
10mM
Purity
99.86
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 250 mg/mL (ultrasonic)
Smiles
O=C(O)C(CCCC(O)=O)=O
Molecular Formula
C6H8O5
Molecular Weight
160.12
Precautions
H315, H319
References & Citations
[1]Shibata K, et al. Fluorometric determination of 2-oxoadipic acid, a common metabolite of tryptophan and lysine, by high-performance liquid chromatography with pre-chemical derivatization. Biosci Biotechnol Biochem. 2011;75 (1) :185-7. Epub 2011 Jan 7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

2-Oxoadipic acid

2-oxoadipic acid is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a mouse metabolite and a human urinary metabolite. It is functionally related to an adipic acid. It is a conjugate acid of a 2-oxoadipate(2-).

CAS Number3184-35-8
PubChem CID71
IUPAC Name2-oxohexanedioic acid
Molecular FormulaC6H8O5
Molecular Weight160.12
XLogP-0.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
C(CC(=O)C(=O)O)CC(=O)O
InChI
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
InChIKey
FGSBNBBHOZHUBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Oxoadipic acid
CAS: 3184-35-8
CID: 71
Formula: C6H8O5
MW: 160.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.12
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass160.03717335
Monoisotopic Mass160.03717335
Topological Polar Surface Area91.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
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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