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136696-10-1

136696-10-1 structural image
Product Name: (5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Formula: C20H30O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
LogP 3.884

COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 14
Exact Mass 334.21440943 g/mol
Monoisotopic Mass 334.21440943 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 458
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

12-dehydro-leukotriene B4 is a long-chain fatty acid consisting of leukotriene B4 having a 12-keto group in place of the 12-hydroxy group. It is an oxo fatty acid, a long-chain fatty acid, a leukotriene and a hydroxy polyunsaturated fatty acid. It is functionally related to an icosa-6,8,10,14-tetraenoic acid and a leukotriene B4. It is a conjugate acid of a 12-dehydro-leukotriene B4(1-).

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