Structure Database (LMSD)

Common Name
6-hydroperoxy-4E,8Z,11Z,14Z-eicosatetraenoic acid
Systematic Name
6-hydroperoxy-4E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060044
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
MKUSCZSRMBCYHE-CVJUOOOLSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(24-23)17-14-15-18-20(21)22/h6-7,9-10,12-14,17,19,23H,2-5,8,11,15-16,18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,17-14+
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/CC(OO)/C=C/CCC(=O)O

Other Databases

LIPIDBANK ID
DFA8085
PubChem CID
5283177

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.14
Molar Refractivity 99.30

Admin

Created at
-
Updated at
-