Structure Database (LMSD)

Common Name
20-hydroxy-eicosatetraenoic acid
Systematic Name
20-hydroxy-2E,4E,6E,8E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060094
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
OFOHMBHZMFNVJA-DHIOLEBQSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h4,6,8,10,12,14,16,18,21H,1-3,5,7,9,11,13,15,17,19H2,(H,22,23)/b6-4+,10-8+,14-12+,18-16+
SMILES (Click to copy)
C(=O)(O)/C=C/C=C/C=C/C=C/CCCCCCCCCCCO

Other Databases

HMDB ID
HMDB02344
PubChem CID
6440419

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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

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Created at
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Updated at
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