Structure Database (LMSD)

Common Name
5,15-DiHETE
Systematic Name
(6E,8Z,11Z,13E)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
Synonyms
  • (6E,8Z,11Z,13E)-5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid
  • 5,15-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid
  • 5,15-dihydroxy-6E,8Z,11Z,13E-icosatetraenoic acid
LM ID
LMFA03060107
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
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)
UXGXCGPWGSUMNI-PCTZFDORSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+
SMILES (Click to copy)
C(O)(=O)CCCC(O)/C=C/C=C\C/C=C\C=C\C(O)CCCCC

Other Databases

CHEBI ID
72867
PubChem CID
59878863

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 99.84

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Created at
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Updated at
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