Structure Database (LMSD)
Common Name
8,15-diHPETE
Systematic Name
8,15-dihydroperoxy-5,9,11,13-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060048
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of 8,15-diHPETE
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)
CXDIKCDVBUPCCG-CJTBBFCXSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-20(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/b5-4-,11-6-,14-9+,15-10-
SMILES (Click to copy)
C(=C/C=C\C=C\C(OO)CCCCC)/C(OO)C/C=C\CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
394.10
Topological Polar Surface Area
96.22
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
6.07
Molar Refractivity
102.56
Admin
Created at
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Updated at
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