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
Formula
C22H32O2
Exact Mass
Calculate m/z
328.24023
Sum Composition
FA 22:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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

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

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
PDB ID
HXA
GuidePharm ID
1051

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
25th Apr 2022