Structure database (LMSD)

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LM IDLMFA03000010
Common Name20-HEDE
Systematic Name20-hydroxy-6Z,15Z-eicosadienoic acid
Synonyms-
Exact Mass
324.2664 (neutral)    Calculate m/z:
FormulaC20H36O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID10426436
InChIKeyRYHYNNWEPYGEEH-WGEIWTTOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h
8-11,21H,1-7,12-19H2,(H,22,23)/b10-8-,11-9-
SMILESC(CCCC/C=C\CCCCCCC/C=C\CCCCO)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
373.01Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.92Molar
Refractivity
98.13