Structure Database (LMSD)

Common Name
Maresin 1
Systematic Name
7R,14S-dihydroxy-4Z,8E,10E,12Z,16Z,19Z-docosahexaenoic acid
Synonyms
LM ID
LMFA04050001
Status
Active
Exact Mass
Calculate m/z
360.23006
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HLHYXXBCQOUTGK-FHCQLJOMSA-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

Reference
Macrophage proresolving mediator maresin 1 stimulates tissue regeneration and controls pain
Faseb J.
DOI: 10.1096/fj.11-201442
PMID: 22253477

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Macrophage proresolving mediator maresin 1 stimulates tissue regeneration and controls pain,
FASEB J., 2012
Pubmed ID: 22253477

Other Databases

CHEBI ID
PubChem CID
Cayman ID

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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Created at
-
Updated at
21st May 2020