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(±) 16,17-EDT

CAT: 0013-GTR19219853-03Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219853-03Size:100 µg
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Description
(±) 16,17-EDT is a potent CYP-derived adrenic acid metabolite that acts as a vasodilator. It relaxes pre-contracted bovine coronary arteries and dilates porcine arterioles with high potency (EC50 = 11 pM) . This oxylipin is a valuable research tool for studying vascular physiology and CYP eicosanoid pathways in vitro.
CAS Number
351533-79-4
Field of Research
Metabolism Research
Smiles
OC (CCCCC/C=C\C/C=C\C/C=C\CC1C (O1) CCCCC) =O
Molecular Formula
C22H36O3
Molecular Weight
348.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 170453354
CAS Number351533-79-4
PubChem CID170453354
IUPAC Name(7Z,10Z,13Z)-15-(3-pentyloxiran-2-yl)pentadeca-7,10,13-trienoic acid
Molecular FormulaC22H36O3
Molecular Weight348.5
XLogP6.4
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count25
Formal Charge0
Complexity423
SMILES
CCCCCC1C(O1)C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C22H36O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h5-8,12,15,20-21H,2-4,9-11,13-14,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,15-12-
InChIKey
MKJPTTFETPPMAD-DXYLRVIWSA-N
Chemical Structure
2D Structure
2D structure of CID 170453354
CAS: 351533-79-4
CID: 170453354
Formula: C22H36O3
MW: 348.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass348.26644501
Monoisotopic Mass348.26644501
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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