Structure Database (LMSD)
Common Name
Maresin 2-d5
Systematic Name
13R,14S-dihydroxy-4Z,7Z,9E,11E,16Z,19Z-docosahexaenoic-21,21,22,22,22-d5 acid
Synonyms
- 13R,14S-diHDHA-d5
- 13R,14S-dihydroxy Docosahexaenoic Acid-d5
- MaR2-d5
3D model of Maresin 2-d5
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
ALWYOLKNLLFCAY-VLKIHEMDSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/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/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1/i1D3,2D2
SMILES (Click to copy)
C(CC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\C/C=C\C([2H])([2H])C([2H])([2H])[2H])(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
Aromatic Rings
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
25th Mar 2025
Updated at
25th Mar 2025