CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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COMPUTED DESCRIPTORS
Molecular Weight | 336.5 g/mol |
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XLogP3 | 5.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 15 |
Exact Mass | 336.23005950 g/mol |
Monoisotopic Mass | 336.23005950 g/mol |
Topological Polar Surface Area | 66.8 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 408 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 4 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5(S)-HPETE is an icosatetraenoic acid in which the double bonds are located at the 6-7, 8-9, 11-12, and 14-15 positions and have E, Z, Z, and Z geometry, respectively, and in which the pro-S hydrogen is substituted by a hydroperoxy group. It has a role as a mouse metabolite. It is functionally related to an icosa-6,8,11,14-tetraenoic acid. It is a conjugate acid of a 5(S)-HPETE(1-).