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100896-35-3

100896-35-3 | 5,9,11,14-Eicosatetraenoic acid, 8-hydroperoxy-, (5Z,8R,9E,11Z,14Z)-

CAS No: 100896-35-3 Catalog No: AG00033V MDL No:

Product Description

Catalog Number:
AG00033V
Chemical Name:
5,9,11,14-Eicosatetraenoic acid, 8-hydroperoxy-, (5Z,8R,9E,11Z,14Z)-
CAS Number:
100896-35-3
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
(8R)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/t19-/m0/s1
InChI Key:
QQUFCXFFOZDXLA-IBGZPJMESA-N
SMILES:
CCCCC/C=C\C/C=C\C=C\[C@@H](C/C=C\CCCC(=O)O)OO

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4  
XLogP3:
5.2  

Literature

Title Journal
Synthesis of 8,9-leukotriene A4 by murine 8-lipoxygenase. Biochemical and biophysical research communications 20051209
Role of radical formation at tyrosine 193 in the allene oxide synthase domain of a lipoxygenase-AOS fusion protein from coral. Biochemistry 20030610
Binding of cytochrome P450 monooxygenase and lipoxygenase pathway products by heart fatty acid-binding protein. Biochemistry 20010130

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