Structure database (LMSD)

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LM IDLMFA03000005
Common Name11R-HEDE
Systematic Name11R-hydroxy-12E,14Z-eicosadienoic acid
Synonyms-
Exact Mass
324.2664 (neutral)    Calculate m/z:
FormulaC20H36O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
PubChem CID16061090
CAYMAN ID37505
InChIKeyHDMIRVFIVOGVIC-VOYJXKAKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h
7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m
0/s1
SMILESOC(=O)CCCCCCCCC[C@@H](O)/C=C/C=C\CCCCC
MS Spectra-     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
373.01Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.92Molar
Refractivity
98.13