Structure Database (LMSD)

Common Name
8R-HpODE
Systematic Name
8R-hydroperoxy-9Z,12Z-octadecadienoic acid
Synonyms
  • (9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid
LM ID
LMFA02000113
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

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)
RGJSGXNKRWWCOQ-QMEIEYGNSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1
SMILES (Click to copy)
OC(=O)CCCCCC[C@@H](OO)/C=C\C/C=C\CCCCC

Other Databases

KEGG ID
C14831
HMDB ID
HMDB0004706
CHEBI ID
34485
PubChem CID
6438758

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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