Structure Database (LMSD)

Common Name
22:5(4Z,7Z,10Z,13Z,16Z)
Systematic Name
4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
Synonyms
  • C22:5n-6,9,12,15,18
LM ID
LMFA04000064
Formula
C22H34O2
Exact Mass
Calculate m/z
330.25588
Sum Composition
FA 22:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Abyssogena phaseoliformis (#1871145)
Bivalvia (#6544)
Identification of novel n-4 series polyunsaturated fatty acids in a deep-sea clam, Calyptogena phaseoliformis.,
J Chromatogr A, 2007
Pubmed ID: 17604037

String Representations

InChiKey (Click to copy)
AVKOENOBFIYBSA-WMPRHZDHSA-N
InChi (Click to copy)
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

HMDB ID
HMDB0001976
CHEBI ID
65136
PubChem CID
6441454
SwissLipids ID
SLM:000001208
Cayman ID
10008335

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 390.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.77
Molar Refractivity 105.18

Admin

Created at
-
Updated at
-