Structure Database (LMSD)

O OH
Common Name
Clupadonic acid
Systematic Name
Z,8Z,12Z,15Z,19Z-docosapentaenoic acid
Synonyms
  • (4Z,8Z,12Z,15Z,19Z)-docosa-4,8,12,15,19-pentaenoic acid
LM ID
LMFA04000082
Formula
C22H34O2
Exact Mass
Calculate m/z
330.25588
Sum Composition
FA 22:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PIFPCDRPHCQLSJ-SBFJRTJOSA-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/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)/b4-3-,8-7-,11-10-,15-14-,19-18-
SMILES (Click to copy)
C(CC/C=C\CC/C=C\CC/C=C\C/C=C\CC/C=C\CC)(=O)O

References

Other Databases

PubChem CID
87438437

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 390.9
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.77
Molar Refractivity 105.18

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Created at
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Updated at
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