Structure Database (LMSD)

Common Name
11S-HETE
Systematic Name
11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060003
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula
C20H32O3
Abbrev
FA 20:4;O
Show lipids differing only in stereochemistry/bond geometry
View lipid standard
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
GCZRCCHPLVMMJE-YZGNWCGPSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC

References

Other Databases

CHEBI ID
138332
LIPIDBANK ID
DFA8135
PubChem CID
5283152
Cayman ID
34510

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 367.73
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.47
Molar Refractivity 97.94

Admin

Created at
-
Updated at
-