Structure Database (LMSD)
Common Name
15S-HETrE
Systematic Name
15S-hydroxy-8Z,11Z,13E-eicosatrienoic acid
Synonyms
3D model of 15S-HETrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
15(S)-HETrE is the hydroxy-trienoic acid resulting from 15-lipoxygenation of dihomo-γ-linolenic acid (DGLA). It is an inhibitor of 5-LO in human PMNL with an IC50 value of 4.6 µM.1 In RBL cells, 15(S)-HETrE inhibits 5-LO, but is about 1/20 as potent as 15(S)-HpETE.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)
IUKXMNDGTWTNTP-OAHXIXLCSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/C/C=C\C=C\[C@@H](O)CCCCC)=C/CCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
370.37
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.70
Molar Refractivity
98.04
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