Structure Database (LMSD)
Common Name
(7S)-Maresin 1
Systematic Name
7S,14S-dihydroxy-4Z,8E,10E,12E,16Z,19Z-docosahexaenoic acid
Synonyms
- 7-epi Maresin 1
LM ID
LMFA04050003
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Active
3D model of (7S)-Maresin 1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HLHYXXBCQOUTGK-KGYDJRPRSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CC/C=C\C[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Maresins: novel macrophage mediators with potent antiinflammatory and proresolving actions.,
J Exp Med, 2009
J Exp Med, 2009
Pubmed ID:
19103881
DOI:
10.1084/jem.20081880
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
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
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Updated at
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