Structure database (LMSD)

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LM IDLMFA04000042
Common Name16,17-DiHDPE
Systematic Name(+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid
Synonyms-
Exact Mass
362.2457 (neutral)    Calculate m/z:
FormulaC22H34O4
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID16061147
InChIKeyYXQCSWUATWXVGK-ZYADFMMDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-2
2(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-1
1-,14-3-,15-12-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
408.48Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.29Molar
Refractivity
108.98