Structure Database (LMSD)

Common Name
Resolvin D6i
Systematic Name
4R,17R-dihydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
Synonyms
  • RvD6
LM ID
LMFA04030013
Formula
C22H32O4
Exact Mass
Calculate m/z
360.230061
Sum Composition
FA 22:6;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Resolvin Ds [FA0403]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Docosanoid signaling modulates corneal nerve regeneration: effect on tear secretion, wound healing, and neuropathic pain.,
J Lipid Res, 2020
Pubmed ID: 32788291

String Representations

InChiKey (Click to copy)
JKPUWSZSJINVLB-CKWSNNJUSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(24)18-19-22(25)26/h3-5,8-14,16-17,20-21,23-24H,2,6-7,15,18-19H2,1H3,(H,25,26)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21+/m1/s1
SMILES (Click to copy)
C(/[C@H](O)CCC(=O)O)=C\C=C/C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC

Other Databases

PubChem CID
44222943

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
19th Aug 2020
Updated at
28th Jan 2021