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
C22H32O4
Exact Mass
Calculate m/z
360.23006
Sum Composition
FA 22:6;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Maresins [FA0405]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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
Pubmed ID: 19103881

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

Other Databases

PubChem CID
42607314

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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