Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030762
Common NameDHA (d5) (W)
Systematic Name4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
Synonyms-
Exact Mass
333.2711 (neutral)    Calculate m/z:
FormulaC22H27D5O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID24778483
HMDB IDHMDB02183
CHEBI ID28125
CAYMAN ID27357
InChIKeyMBMBGCFOFBJSGT-RPBOKJFVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/i1D3,2D2
Click to highlight InChI
SMILES
C(=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C([2H])([2H])C([2H])([2H])[2H])/CCC(=O)O
Click to highlight SMILES
MS StandardView lipid standard
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard