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
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-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

Reference
Serhan, C.N., et al. 2009. J. Exp. Med. 206: 15-23. PMID: 19103881

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
Pubmed ID: 19103881

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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