Structure Database (LMSD)

OH OH O OH
Common Name
7,8-DiHDPE
Systematic Name
(+/-)-7,8-dihydroxy-4Z,10Z,13Z,16Z,19Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000039
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

Main

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]

String Representations

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

References

Other Databases

CHEBI ID
165252
PubChem CID
16061144

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

Admin

Created at
-
Updated at
29th Apr 2022