Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03080011
Common Name(+/-)11,12-EpETrE-d8
Systematic Name11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid-d8
Synonyms-
Exact Mass
328.2845 (neutral)    Calculate m/z:
FormulaC20H24D8O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassEpoxyeicosatrienoic acids [FA0308]
PubChem CID16061133
InChIKeyDXOYQVHGIODESM-CXNOEZBLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/i6D,8D,9D,10D,12D,13D,18D,19D
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SMILES
C(/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCC(=O)O)C1([2H])OC1([2H])C/C(/[2H])=C(/[2H])\CCCCC
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard