Structure Database (LMSD)

Common Name
DHA
Systematic Name
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
Synonyms
  • Cervonic acid
  • Docosahexaenoic acid
  • C22:6n-3,6,9,12,15,18
LM ID
LMFA01030185
Status
Active
Exact Mass
Calculate m/z
328.24023
Formula
C22H32O2
Abbrev
FA 22:6
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
View ion mobility data
View lipid standard
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
MBMBGCFOFBJSGT-KUBAVDMBSA-N
InChi (Click to copy)
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-
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)/CCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

Wikipedia
DHA
KEGG ID
C06429
HMDB ID
HMDB0002183
CHEBI ID
28125
LIPIDBANK ID
DFA0224
PubChem CID
445580
PlantFA ID
10416
SwissLipids ID
SLM:000001084
Cayman ID
26414

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 388.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.55
Molar Refractivity 105.09

Admin

Created at
-
Updated at
-