Structure Database (LMSD)
Common Name
9-HpOME
Systematic Name
9-hydroperoxy-10E-octadecenoic acid
Synonyms
LM ID
LMFA02000117
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Curated
3D model of 9-HpOME
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
Free Radical Lipid Peroxidation: Mechanisms and Analysis
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Free radical lipid peroxidation: mechanisms and analysis.,
Chem Rev, 2011
Chem Rev, 2011
Pubmed ID:
21861450
DOI:
10.1021/cr200084z
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
Other Databases
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
Admin
Created at
-
Updated at
-