Structure database (LMSD)

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LM IDLMFA04000082
Common NameClupadonic acid
Systematic NameZ,8Z,12Z,15Z,19Z-docosapentaenoic acid
Synonyms(4Z,8Z,12Z,15Z,19Z)-docosa-4,8,12,15,19-pentaenoic acid
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 CID87438437
InChIKeyPIFPCDRPHCQLSJ-SBFJRTJOSA-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/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)/b4-3-,8-
7-,11-10-,15-14-,19-18-
SMILESC(CC/C=C\CC/C=C\CC/C=C\C/C=C\CC/C=C\CC)(=O)O
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