Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060010
Common Name5S,15S-DiHETE
Systematic Name5S,15S-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid
Synonyms-
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDDFA8104
PubChem CID5283158
HMDB IDHMDB0010216
SWISSLIPIDS IDSLM:000501296
CAYMAN ID35280
InChIKeyUXGXCGPWGSUMNI-BVHTXILBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)2
4/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-
10+,15-11+/t18-,19+/m0/s1
SMILESC(O)(=O)CCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCCC
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.73Molar
Refractivity
99.84