Structure Database (LMSD)

Common Name
5,12-DiHETE
Systematic Name
5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid
Synonyms
  • 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-
  • 5,12-Di-HETE
LM ID
LMFA03060052
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)
VNYSSYRCGWBHLG-XUOUMLBJSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6+,14-10+,15-11+
SMILES (Click to copy)
C(CCCC(O)/C=C/C=C/C=C/C(O)C/C=C/CCCCC)(=O)O

Other Databases

LIPIDAT ID
2927
HMDB ID
HMDB0062409
CHEBI ID
175298
PubChem CID
5312972

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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