Structure database (LMSD)
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MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

LM ID	LMFA01030762
Common Name	DHA (d5) (W)
Systematic Name	4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
Synonyms	-
Exact Mass	333.2711 (neutral) Calculate m/z:
Formula	C₂₂H₂₇D₅O₂
Category	Fatty Acyls [FA]
Main Class	Fatty Acids and Conjugates [FA01]
Sub Class	Unsaturated fatty acids [FA0103]
PubChem CID	24778483
HMDB ID	HMDB02183
CHEBI ID	28125
CAYMAN ID	27357
InChIKey	MBMBGCFOFBJSGT-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 Standard	View lipid standard
Status	Active (Isotopically labelled standard)
Comments	Synthetic deuterated standard

Structure database (LMSD)Return to Databases Overview