Structure database (LMSD)

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LM IDLMFA04030013
Common NameResolvin D6i
Systematic Name4R,17R-dihydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
SynonymsRvD6
Exact Mass
360.2301 (neutral)    Calculate m/z:
FormulaC22H32O4
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassResolvin Ds [FA0403]
AbbrevFA 22:6;O2
PubChem CID-
InChIKeyJKPUWSZSJINVLB-CKWSNNJUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
ReferencesDocosanoid signaling modulates corneal nerve regeneration: effect on tear secretion, wound healing, and neuropathic pain
J. Lipid Res. 2020
DOI: 10.1194/jlr.TR120000954
PMID: 32788291
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
405.84Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.06Molar
Refractivity
108.89