Structure database (LMSD)

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LM IDLMFA04000039
Common Name7,8-DiHDPE
Systematic Name(+/-)-7,8-dihydroxy-4Z,10Z,13Z,16Z,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 CID16061144
InChIKeyDPZIOENSPXELQY-MPQBXPHNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(23)21(24)18-15-13-16-19-2
2(25)26/h3-4,6-7,9-10,12-15,20-21,23-24H,2,5,8,11,16-19H2,1H3,(H,25,26)/b4-3-,7-
6-,10-9-,14-12-,15-13-
SMILESC(CC/C=C\CC(O)C(O)C/C=C\C/C=C\C/C=C\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