Structure Database (LMSD)
Common Name
14,15-DiHETE
Systematic Name
(+/-)-14,15-dihydroxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060077
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 14,15-DiHETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BLWCDFIELVFRJY-QXBXTPPVSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
376.52
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.73
Molar Refractivity
99.84
Admin
Created at
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Updated at
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