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5-POHSA

CAT: 0013-GTR19232914-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232914-02Size:5 mg
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Description
5-POHSA is a branched fatty acid ester of hydroxy stearic acid (FAHFA) associated with enhanced glucose tolerance and insulin sensitivity in murine models. This bioactive lipid is a valuable research tool for studying metabolic syndrome, inflammation, and insulin secretion mechanisms in both in vivo and in vitro experimental systems.
CAS Number
2161370-68-7
Smiles
C (OC (CCCCCCC/C=C\CCCCCC) =O) (CCCCCCCCCCCCC) CCCC (O) =O
Molecular Formula
C34H64O4
Molecular Weight
536.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(9Z-hexadecenoyloxy)-octadecanoic acid

5-[(9Z)-hexadecenoyloxy]octadecanoic acid is a fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the hydroxy group of 5-hydroxyoctadecanoic acid. It is a monocarboxylic acid and a fatty acid ester. It is functionally related to a 5-hydroxyoctadecanoic acid and a palmitoleic acid. It is a conjugate acid of a 5-[(9Z)-hexadecenoyloxy]octadecanoate.

CAS Number2161370-68-7
PubChem CID126456524
IUPAC Name5-[(Z)-hexadec-9-enoyl]oxyoctadecanoic acid
Molecular FormulaC34H64O4
Molecular Weight536.9
XLogP13.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Heavy Atom Count38
Formal Charge0
Complexity543
SMILES
CCCCCCCCCCCCCC(CCCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C34H64O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,32H,3-12,14,16-31H2,1-2H3,(H,35,36)/b15-13-
InChIKey
HADGPAWFBKHJNM-SQFISAMPSA-N
Chemical Structure
2D Structure
2D structure of 5-(9Z-hexadecenoyloxy)-octadecanoic acid
CAS: 2161370-68-7
CID: 126456524
Formula: C34H64O4
MW: 536.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.9
XLogP313.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Exact Mass536.48046052
Monoisotopic Mass536.48046052
Topological Polar Surface Area63.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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