Structure Database (LMSD)

Common Name
8,9-dihydroxy-5,11,14-eicosatrienoic acid
Systematic Name
8,9-dihydroxy-5,11,14-eicosatrienoic acid
Synonyms
  • 5,11,14-Eicosatrienoic acid, 8,9-dihydroxy-
  • 8,9-Dihydroxy-5,11,14-eicosatrienoic acid
LM ID
LMFA03050016
Formula
C20H34O4
Exact Mass
Calculate m/z
338.24571
Sum Composition
FA 20:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
DCJBINATHQHPKO-QPZDSRGTSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9+,13-10+
SMILES (Click to copy)
C(CCC/C=C/CC(O)C(O)C/C=C/C/C=C/CCCCC)(=O)O

Other Databases

LIPIDAT ID
2964
PubChem CID
5312971

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 379.16
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.96
Molar Refractivity 99.94

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Created at
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Updated at
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