Structure Database (LMSD)

O OH
Common Name
Adrenic Acid
Systematic Name
7Z,10Z,13Z,16Z-docosatetraenoic acid
Synonyms
  • C22:4n-6,9,12,15
  • 22:4n6
LM ID
LMFA01030178
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
FA 22:4
Status
Active
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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)
TWSWSIQAPQLDBP-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CC(=O)O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

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
Docosatetraenoic_acid
KEGG ID
C16527
HMDB ID
HMDB0002226
CHEBI ID
53487
LIPIDBANK ID
DFA0217
PubChem CID
5497181
SwissLipids ID
SLM:000001124
Cayman ID
90300

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 393.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.00
Molar Refractivity 105.27

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

Admin

Created at
-
Updated at
25th Apr 2022