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116180-17-7

116180-17-7 structural image
Product Name: 12(S)-HEPE
Formula: C20H30O3
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COMPUTED DESCRIPTORS

Molecular Weight 318.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 13
Exact Mass 318.21949481 g/mol
Monoisotopic Mass 318.21949481 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 428
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 5
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

12(S)-HEPE is a 12-HEPE that consists of (5Z,8Z,10E,14Z,17Z)-icosapentaenoic acid in which the 12-hydroxy group has S-configuration. It has a role as a human xenobiotic metabolite, a mouse metabolite and a rat metabolite. It is a conjugate acid of a 12(S)-HEPE(1-).