Structure Database (LMSD)
Common Name
13S-HOTrE
Systematic Name
13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid
Synonyms
- 13-HoTrE
3D model of 13S-HOTrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
13(S)-HOTrE is the 15-lipoxygenase (15-LO) product of linolenic acid. It has been detected in cell membranes and as the cholesteryl ester associated with the lesions of atherosclerosis, and in the biomembranes of soybeans exposed to 15-LO.1,2
This information has been provided by Cayman Chemical
References
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
KLLGGGQNRTVBSU-FQSPHKRJSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
335.77
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.92
Molar Refractivity
88.80
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