Structure Database (LMSD)
Common Name
Tetranor-12R-HETE
Systematic Name
8R-hydroxy-4Z,6E,10Z-hexadecatrienoic acid
Synonyms
3D model of Tetranor-12R-HETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
tetranor-12(R)-HETE is a metabolite of 12(R)-HETE formed via β-oxidation.1
This information has been provided by Cayman Chemical
References
1. Nishimura, M., Schwartzman, M.L., Falck, J.R., et al. Metabolism of 12(R)-hydroxy-5,8,10,14-eicosatetraenoic acid (12(R)-HETE) in corneal tissues: Formation of novel metabolites. Arch. Biochem. Biophys. 290(2), 326-335 (1991).
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)
KBOVKDIBOBQLRS-QCNAHCIUSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m1/s1
SMILES (Click to copy)
C(=C/C=C/[C@H](O)C/C=C\CCCCC)/CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
301.17
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.14
Molar Refractivity
79.57
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Updated at
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