maresin 2   Click here for help

GtoPdb Ligand ID: 12055

Synonyms: 13R,14S-diHDHA | 13R,14S-dihydroxy-docosahexaenoic acid | MaR2 | maresin-2
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Maresins are anti-inflammatory and pro-resolving lipid mediators that are biosynthesised from docosahexaenoic acid (DHA) by macrophages, via conversions that are catalysed by12-LOX and soluble epoxide hydrolase (sEH). Maresin 2 was identified in 2014 [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 77.76
Molecular weight 360.23
XLogP 5.35
No. Lipinski's rules broken 2
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Canonical SMILES CC/C=C\C/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)O)O
Isomeric SMILES CC/C=C\C/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)O)O
InChI 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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
Synonyms Click here for help
13R,14S-diHDHA | 13R,14S-dihydroxy-docosahexaenoic acid | MaR2 | maresin-2
Database Links Click here for help
CAS Registry No. 1639809-46-3 (source: PubChem)
GtoPdb PubChem SID 472319177
PubChem CID 101894912
Search Google for chemical match using the InChIKey ALWYOLKNLLFCAY-GYROAIJESA-N
Search Google for chemicals with the same backbone ALWYOLKNLLFCAY
UniChem Compound Search for chemical match using the InChIKey ALWYOLKNLLFCAY-GYROAIJESA-N
UniChem Connectivity Search for chemical match using the InChIKey ALWYOLKNLLFCAY-GYROAIJESA-N