Structure database (LMSD)

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LM IDLMFA04000044
Common NameDPA (W)
Systematic Name7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid
SynonymsClupanodonic acid; C22:5n-3,6,9,12,15; Osbond's acid
Exact Mass
330.2559 (neutral)    Calculate m/z:
FormulaC22H34O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
PubChem CID5497182
KEGG IDC16513
HMDB IDHMDB0006528
SWISSLIPIDS IDSLM:000000929
CAYMAN ID90165
InChIKeyYUFFSWGQGVEMMI-JLNKQSITSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)2
4/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,
13-12-,16-15-
SMILESC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
390.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.77Molar
Refractivity
105.18