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

Classification

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

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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