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3-Oxooctadecanoic acid

CAT: 0804-HY-N7856Size: 100 μg (3.35 mM x 100 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-N7856Size:100 μg (3.35 mM x 100 μL in Ethanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Oxooctadecanoic acid (3-Oxostearic acid) is a saturated fatty acid (SFA) . 3-Oxooctadecanoic acid is an intermediate product in fatty acid biosynthesis and it was converted from malonic acid via the enzyme[1].
CAS Number
16694-29-4
Product Name Alternative
3-Oxostearic acid
UNSPSC
12352211
Hazard Statement
H225, H319
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-oxooctadecanoic-acid.html
Concentration
3.35 mM * 100 μL in Ethanol
Purity
95.0
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCC(CC(O)=O)=O
Molecular Formula
C18H34O3
Molecular Weight
298.46
Precautions
H225, H319
References & Citations
[1]Chen H, Chen L, Liu D, et al. Combined Clinical Phenotype and Lipidomic Analysis Reveals the Impact of Chronic Kidney Disease on Lipid Metabolism. J Proteome Res. 2017;16 (4) :1566-1578.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-Keto stearic acid

3-oxooctadecanoic acid is a 3-oxo fatty acid derived from stearic acid. It is functionally related to an octadecanoic acid.

CAS Number16694-29-4
PubChem CID5283005
IUPAC Name3-oxooctadecanoic acid
Molecular FormulaC18H34O3
Molecular Weight298.5
XLogP7
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)O
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)
InChIKey
YQGGUZWHNVQJMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Keto stearic acid
CAS: 16694-29-4
CID: 5283005
Formula: C18H34O3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass298.25079494
Monoisotopic Mass298.25079494
Topological Polar Surface Area54.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity261
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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