Structure Database (LMSD)

OH OH O OH
Common Name
Maresin 2
Systematic Name
13R,14S-dihydroxy-4Z,7Z,9E,11E,16Z,19Z-docosahexaenoic acid
Synonyms
  • 13R,14S-diHDHA
  • 13,14-dihydroxydocosahexaenoic acid
  • Mar2
LM ID
LMFA04050004
Formula
C22H32O4
Exact Mass
Calculate m/z
360.23006
Sum Composition
FA 22:6;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Maresins [FA0405]

String Representations

InChiKey (Click to copy)
ALWYOLKNLLFCAY-GYROAIJESA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C(CC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Maresin Biosynthesis and Identification of Maresin 2, a New Anti-Inflammatory and Pro-Resolving Mediator From Human Macrophages.,
PLoS One, 2014
Pubmed ID: 25036362

Other Databases

CHEBI ID
138248
PubChem CID
101894912
Cayman ID
16369
GuidePharm ID
12055

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

Admin

Created at
21st May 2020
Updated at
5th Feb 2024