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14 (15) -EpETE

CAT: 0804-HY-145546-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-145546-01Size:25 µg
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Description
14 (15) -EpETE is the epoxide of cytochrome P450 (CYP450) and is involved in the regulation of vascular tone and renal function[1].
CAS Number
131339-24-7
UNSPSC
12352005
Hazard Statement
H225-H319
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/14-15-epete.html
Solubility
10 mM in DMSO
Smiles
OC(CCC/C=C\C/C=C\C/C=C\C[C@H]1[C@H](O1)C/C=C\CC)=O
Molecular Formula
C20H30O3
Molecular Weight
318.45
Precautions
P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501
References & Citations
[1]Maude Fer , et al. Metabolism of eicosapentaenoic and docosahexaenoic acids by recombinant human cytochromes P450. Arch Biochem Biophys. 2008, 471, 2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

14(15)-Epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
CAS Number131339-24-7
PubChem CID35020754
IUPAC Name(5Z,8Z,11Z)-13-[(2S,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.7
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count23
Formal Charge0
Complexity432
SMILES
CC/C=C\C[C@@H]1[C@@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-/t18-,19+/m1/s1
InChIKey
RGZIXZYRGZWDMI-IXQKDQKQSA-N
Chemical Structure
2D Structure
2D structure of 14(15)-Epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
CAS: 131339-24-7
CID: 35020754
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area49.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19223201-01(±) 14 (15) -EpETE
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