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3-Hydroxy Palmitic Acid

CAT: 0013-GTR19190768-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190768-03Size:50 mg
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Description
3-Hydroxy palmitic acid is a 16-carbon hydroxy fatty acid that serves as a chemical marker for bacterial endotoxins and a precursor for quorum sensing signals in pathogens like R. solanacearum. Its accumulation is also studied in models of metabolic disorders, such as fatty acid oxidation deficiencies, to investigate associated mitochondrial dysfunction and oxidative stress in vitro and in vivo.
CAS Number
2398-34-7
Field of Research
Metabolism Research
Purity
99.84% (May vary between batches)
Smiles
O=C (O) CC (O) CCCCCCCCCCCCC
Molecular Formula
C16H32O3
Molecular Weight
272.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxyhexadecanoic acid

3-hydroxypalmitic acid is a long-chain fatty acid that is the 3-hydroxy derivative of palmitic acid. It is a 3-hydroxy fatty acid and a hydroxypalmitic acid. It is functionally related to a hexadecanoic acid. It is a conjugate acid of a 3-hydroxypalmitate.

CAS Number2398-34-7
PubChem CID301590
IUPAC Name3-hydroxyhexadecanoic acid
Molecular FormulaC16H32O3
Molecular Weight272.42
XLogP5.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey
CBWALJHXHCJYTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyhexadecanoic acid
CAS: 2398-34-7
CID: 301590
Formula: C16H32O3
MW: 272.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.42
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass272.23514488
Monoisotopic Mass272.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes