Structure Database (LMSD)
Common Name
8-HpOME(6E)
Systematic Name
8-hydroperoxy-6E-octadecenoic acid
Synonyms
- 8-HpOME
LM ID
LMFA02000079
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Curated
3D model of 8-HpOME(6E)
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
References
Reference
Stereoselective oxidation of regioisomeric octadecenoic acids by fatty acid dioxygenases
Ernst H. Oliw, Anneli Wennman, Inga Hoffmann, Ulrike Garscha, Mats Hamberg, and Fredrik Jerneren
J. Lipid Res. 2011 52:(11) 1995-2004
Ernst H. Oliw, Anneli Wennman, Inga Hoffmann, Ulrike Garscha, Mats Hamberg, and Fredrik Jerneren
J. Lipid Res. 2011 52:(11) 1995-2004
String Representations
InChiKey (Click to copy)
UAXVXLDKRQZQES-NTCAYCPXSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
SMILES (Click to copy)
C(CCCC/C=C/C(OO)CCCCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.03
Molar Refractivity
90.35
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Updated at
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