Structure Database (LMSD)

Common Name
13,14-DiHDPE
Systematic Name
(+/-)-13,14-dihydroxy-4Z,7Z,10Z,16Z,19Z-docosapentaenoic acid
Synonyms
  • 13(14)-DiHDPA
  • 13,14-DiHDPA
LM ID
LMFA04000041
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
Sum Composition
FA 22:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Oxidation of docosahexaenoic acid by rat liver microsomes.,
J Biol Chem, 1984
Pubmed ID: 6232277

String Representations

InChiKey (Click to copy)
LINXWSBRRJSWHL-UQZHZJRSSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,10-15,20-21,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
165248
PubChem CID
16061146

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 408.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.29
Molar Refractivity 108.98

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Created at
-
Updated at
14th Nov 2024