Structure database (LMSD)

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LM IDLMFA04000060
Common Name21-HDHA
Systematic Name21-hydroxy-4Z,7Z,10Z,13Z,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 CID52922000
SWISSLIPIDS IDSLM:000501496
InChIKeyIXAMNXQQWDOFMN-NZONWQNASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H32O3/c1-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(2
4)25/h2,4-5,7-8,10-11,13-14,16-17,19,21,23H,3,6,9,12,15,18,20H2,1H3,(H,24,25)/b4
-2-,7-5-,10-8-,13-11-,16-14-,19-17-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(O)C)(=O)O
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