Structure Database (LMSD)
Common Name
Protectin DX
Systematic Name
10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid
Synonyms
- PDX
- 10S,17S-DiHDoHE
- 10S,17S-diHDHA
LM ID
LMFA04040003
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Active
3D model of Protectin DX
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CRDZYJSQHCXHEG-XLBFCUQGSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Glycine max
(#3847)
Magnoliopsida
(#3398)
Full characterization of PDX, a neuroprotectin/protectin D1 isomer, which inhibits blood platelet aggregation.,
FEBS Lett, 2009
FEBS Lett, 2009
Pubmed ID:
19818771
Homo sapiens
(#9606)
Mammalia
(#40674)
Characterization and biological effects of di-hydroxylated compounds deriving from the lipoxygenation of ALA.,
J Lipid Res, 2013
J Lipid Res, 2013
Pubmed ID:
23740966
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
405.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.06
Molar Refractivity
108.89
Admin
Created at
-
Updated at
27th Jan 2022