Structure Database (LMSD)

Common Name
Resolvin D6
Systematic Name
4S,17S-dihydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
Synonyms
  • RvD6
LM ID
LMFA04030004
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Curated

Classification

String Representations

InChiKey (Click to copy)
JKPUWSZSJINVLB-OSKNXYPTSA-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+/m0/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

CHEBI ID
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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