Structure Database (LMSD)

Common Name
9-HpOME
Systematic Name
9-hydroperoxy-10E-octadecenoic acid
Synonyms
LM ID
LMFA02000117
Status
Active
Exact Mass
Calculate m/z
314.24571
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DIKRZYGTMAMIKZ-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11+
SMILES (Click to copy)
C(CCCCCCCC(OO)/C=C/CCCCCCC)(=O)O

References

Reference
Free Radical Lipid Peroxidation: Mechanisms and Analysis
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

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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