Structure Database (LMSD)

OH O OH O
Common Name
11S-HpODE
Systematic Name
11S-hydroperoxy-9Z,12Z-octadecadienoic acid
Synonyms
  • (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
  • 11-HpODE
LM ID
LMFA02000115
Formula
C18H32O4
Exact Mass
Calculate m/z
312.23006
Sum Composition
FA 18:2;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)
PLWDMWAXENHPLY-PDBSFCERSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1
SMILES (Click to copy)
OC(=O)CCCCCCC/C=C\[C@@H](OO)/C=C\CCCCC

References

Other Databases

KEGG ID
C07338
HMDB ID
HMDB0062281
CHEBI ID
15657
PubChem CID
5281026

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.81
Molar Refractivity 90.25

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Updated at
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