Structure Database (LMSD)

Common Name
19(20)-EpDPE
Systematic Name
(+/-)-19(20)-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000038
Formula
C22H32O3
Exact Mass
Calculate m/z
344.235145
Sum Composition
FA 22:6;O
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]
Epoxy fatty acids [FA0107]

String Representations

InChiKey (Click to copy)
OSXOPUBJJDUAOJ-MBYQGORISA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-,16-14-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)(=O)O

References

Other Databases

HMDB ID
HMDB0013620
CHEBI ID
72653
PubChem CID
11631565

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 387.33
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.33
Molar Refractivity 105.63

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Created at
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Updated at
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