Structure Database (LMSD)

Common Name
15R-HEDE
Systematic Name
15R-hydroxy-11Z-13E-eicosadienoic acid
Synonyms
LM ID
LMFA03000008
Formula
C20H36O3
Exact Mass
Calculate m/z
324.266445
Sum Composition
FA 20:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Other Eicosanoids [FA0300]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
ZTRWPEHMGCHTIT-BABDSNKVSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m1/s1
SMILES (Click to copy)
C(C/C=C\C=C\[C@H](O)CCCCC)CCCCCCCC(=O)O

Other Databases

CHEBI ID
165296
PubChem CID
5282705
Cayman ID
37710

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 373.01
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.92
Molar Refractivity 98.13

Admin

Created at
-
Updated at
-