Structure Database (LMSD)
Common Name
(+/-)5,6-DiHETrE
Systematic Name
5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03050004
Formula
Exact Mass
Calculate m/z
338.24571
Sum Composition
Status
Active
3D model of (+/-)5,6-DiHETrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GFNYAPAJUNPMGH-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(/C=C\CC(O)C(O)CCCC(=O)O)/C=C\C/C=C\CCCCC
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
379.16
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.96
Molar Refractivity
99.94
Admin
Created at
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Updated at
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