Maresin 2
Product Information
Molecular Formula
C22H32O4
Molecular Weight
360.49
Synonyms
1. (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
IUPAC Name
(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
SMILES
CCC=CCC=CCC(C(C=CC=CC=CCC=CCCC(=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
InChI Key
ALWYOLKNLLFCAY-GYROAIJESA-N
Computed Properties
XLogP3
4.2
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
14
Exact Mass
360.2300595
Monoisotopic Mass
360.2300595
Topological Polar Surface Area
77.8
Heavy Atom Count
26
Formal Charge
0
Complexity
524
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
6
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 32020584 | 2020-05-01 | The IUPHAR Guide to Immunopharmacology: connecting immunology and pharmacology | Immunology |
| 25036362 | 2014-01-01 | Maresin biosynthesis and identification of maresin 2, a new anti-inflammatory and pro-resolving mediator from human macrophages | PloS one |
