Structure database (LMSD)

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LM IDLMFA04000026
Common Name(+/-)-8-HDoHE
Systematic Name(+/-)-8-hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid
Synonyms-
Exact Mass
344.2351 (neutral)    Calculate m/z:
FormulaC22H32O3
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID11976798
CAYMAN ID33350
InChIKeyZHBVYDMSPDDAKE-VTIZNUJUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(2
4)25/h3-4,6-7,9-10,12-16,19,21,23H,2,5,8,11,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,
10-9-,14-13-,15-12-,19-16+
SMILESC(CC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
397.05Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.81Molar
Refractivity
106.99