Structure database (LMSD)

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LM IDLMFA04000058
Common Name14S-HDHA
Systematic Name14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
Synonyms-
Exact Mass
344.2351 (neutral)    Calculate m/z:
FormulaC22H32O3
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID52921998
CAYMAN ID15253
InChIKeyZNEBXONKCYFJAF-OUKOMXQNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(2
4)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-
,14-11-,15-12-,19-16+/t21-/m0/s1
SMILESC(CC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CC)(=O)O
Ion mobilityView Ion mobility data
StatusActive
ReferencesNovel 14,21-dihydroxy-docosahexaenoic acids:
structures, formation pathways, and enhancement of wound healing
Yan Lu, Haibin Tian, and Song Hong
J. Lipid Res. 2010 51:(5) 923-932
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
397.05Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.81Molar
Refractivity
106.99