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1309610-43-2

1309610-43-2 structural image
Product Name: Resolvin E1 SodiuM Salt
Formula: C20H31NaO5
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COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 13
Exact Mass 350.20932405 g/mol
Monoisotopic Mass 350.20932405 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 488
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Resolvin E1 is a resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18R stereoisomer). It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a nonclassic icosanoid, a long-chain fatty acid, a resolvin, a triol and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a resolvin E1(1-).