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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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 Number	16694-29-4
PubChem CID	5283005
IUPAC Name	3-oxooctadecanoic acid
Molecular Formula	C18H34O3
Molecular Weight	298.5
XLogP	7
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	261

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

CAS: 16694-29-4

CID: 5283005

Formula: C18H34O3

MW: 298.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	298.5
XLogP3	7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	298.25079494
Monoisotopic Mass	298.25079494
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Oxooctadecanoic acid

Chemical Information

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