Structure Database (LMSD)
Common Name
Protectin D1n-3 DPA
Systematic Name
10R,17S-dihydroxy-7Z,11E,13E,15Z,19Z-docosapentaenoic acid
Synonyms
- PD1n-3 DPA
LM ID
LMFA04000096
Formula
Exact Mass
Calculate m/z
362.24571
Sum Composition
Status
Curated
3D model of Protectin D1n-3 DPA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
QJJOLZOJRISMDP-UENSAESPSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/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/h3,6,8-13,17-18,20-21,23-24H,2,4-5,7,14-16,19H2,1H3,(H,25,26)/b9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CC)(=O)O
Other Databases
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
15th Oct 2020
Updated at
15th Oct 2020