Structure Database (LMSD)
Common Name
Protectin D2n‑3 DPA
Systematic Name
16R,17S-dihydroxy-7Z,10Z,12E,14E,19Z-docosapentaenoic acid
Synonyms
- PD2n‑3 DPA
LM ID
LMFA04000097
Formula
Exact Mass
Calculate m/z
362.24571
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Protectin D2n‑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)
HRNHRTOXACGZNE-ACYSBPNLSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CC)(=O)O
Other Databases
PubChem CID
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