Structure Database (LMSD)
Common Name
5,12-diHPETE
Systematic Name
5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060046
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5,12-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)
FZVYTGLHRWEILG-LKCSHLNLSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-4-5-6-9-13-18(25-23)14-10-7-8-11-15-19(26-24)16-12-17-20(21)22/h6-11,14-15,18-19,23-24H,2-5,12-13,16-17H2,1H3,(H,21,22)/b8-7+,9-6-,14-10+,15-11+
SMILES (Click to copy)
C(C(OO)/C=C/C=C/C=C/C(OO)CCCC(=O)O)/C=C\CCCCC
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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