Structure Database (LMSD)

Common Name
20-HEDE
Systematic Name
20-hydroxy-6Z,15Z-eicosadienoic acid
Synonyms
LM ID
LMFA03000010
Formula
C20H36O3
Exact Mass
Calculate m/z
324.266445
Sum Composition
FA 20:2;O
Status
Curated
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)
RYHYNNWEPYGEEH-WGEIWTTOSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h8-11,21H,1-7,12-19H2,(H,22,23)/b10-8-,11-9-
SMILES (Click to copy)
C(CCCC/C=C\CCCCCCC/C=C\CCCCO)(=O)O

Other Databases

CHEBI ID
165297
PubChem CID
10426436

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
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

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Created at
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Updated at
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