Structure Database (LMSD)
Common Name
8-HpODE
Systematic Name
8-hydroperoxy-9,12-octadecadienoic acid
Synonyms
LM ID
LMFA02000103
Formula
Exact Mass
Calculate m/z
312.23006
Sum Composition
Status
Active
3D model of 8-HpODE
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
String Representations
InChiKey (Click to copy)
RGJSGXNKRWWCOQ-WXGDJGGUSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
SMILES (Click to copy)
C(/C/C=C/CCCCC)=C\C(OO)CCCCCCC(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
347.20
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.81
Molar Refractivity
90.25
Admin
Created at
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Updated at
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