Structure database (LMSD)

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LM IDLMFA04000043
Common Name19,20-DiHDPE
Systematic Name(+/-)-19,20-dihydroxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
Synonyms19,20-DiHDPA
Exact Mass
362.2457 (neutral)    Calculate m/z:
FormulaC22H34O4
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID16061148
HMDB IDHMDB0010214
InChIKeyFFXKPSNQCPNORO-MBYQGORISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-2
2(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7
-,10-8-,15-13-,16-14-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
408.48Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.29Molar
Refractivity
108.98