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12-HETE

CAT: 0013-GTR19222631-04Size: 250 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222631-04Size:250 µg
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Description
(±) 12-HETE is a bioactive lipid mediator that modulates PGE2 synthesis and COX-2 expression, exhibiting complex roles in thrombosis. It is utilized in research on inflammation, vascular biology, and diabetic retinopathy pathogenesis, with applications in both in vitro cell signaling studies and in vivo disease models.
CAS Number
71030-37-0
Field of Research
Cell Biology
Smiles
C (\C (C/C=C\CCCCC) O) =C/C=C\C/C=C\CCCC (O) =O
Molecular Formula
C20H32O3
Molecular Weight
320.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (E,Z,Z,Z)-
CAS Number71030-37-0
PubChem CID5312983
IUPAC Name(5E,8Z,10Z,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP5.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CCCCC/C=C\CC(/C=C\C=C/C/C=C/CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-
InChIKey
ZNHVWPKMFKADKW-FYMOKONMSA-N
Chemical Structure
2D Structure
2D structure of 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (E,Z,Z,Z)-
CAS: 71030-37-0
CID: 5312983
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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