Structure Database (LMSD)

OH O O OH
Common Name
11-HpOME
Systematic Name
11-hydroperoxy-12Z-octadecenoic acid
Synonyms
LM ID
LMFA02000116
Formula
C18H34O4
Exact Mass
Calculate m/z
314.24571
Sum Composition
FA 18:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
No citation found

Other Databases

CHEBI ID
165783
PubChem CID
53477454

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
22nd Jul 2022