Structure database (LMSD)

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LM IDLMFA04000064
Common Name22:5(4Z,7Z,10Z,13Z,16Z)
Systematic Name4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
SynonymsC22:5n-6,9,12,15,18
Exact Mass
330.2559 (neutral)    Calculate m/z:
FormulaC22H34O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID6441454
HMDB IDHMDB0001976
SWISSLIPIDS IDSLM:000001208
CAYMAN ID10008335
InChIKeyAVKOENOBFIYBSA-WMPRHZDHSA-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/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-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O
StatusActive
ReferencesIdentification of novel n-4 series polyunsaturated fatty acids
in a deep-sea clam, Calyptogena phaseoliformis.
Saito H.
J Chromatogr A. (2007) 1163(1-2):247-59.
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