Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060005
Common Name5S-HETE-d8 (W)
Systematic Name5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid (5,6,8,9,11,12,14,15-d8)
Synonyms-
Exact Mass
328.2845 (neutral)    Calculate m/z:
FormulaC20H24D8O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
PubChem CID5283153
KEGG IDC04805
HMDB IDHMDB11134
CHEBI ID28209
CAYMAN ID334230
InChIKeyKGIJOOYOSFUGPC-IWMWOOIASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
Click to highlight InChI
SMILES
C(O)(=O)CCC[C@]([2H])(O)/C(/[2H])=C/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCCC
Click to highlight SMILES
MS StandardView lipid standard
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard