Structure database (LMSD)

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LM IDLMFA01031076
Common Name8-hydroxy-5,6-Octadienoic acid
Systematic Name8-hydroxy-5,6-Octadienoic acid
Synonyms5,6-Octadienoic acid, 8-hydroxy-; 8-Hydroxy-Z,Z-5,6-octadienoic acid; 8-
Hydroxyocta-5c,6c-dienoic acid
Exact Mass
156.0786 (neutral)    Calculate m/z:
FormulaC8H12O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID54042244
HMDB IDHMDB0031101
PlantFA ID10451
InChIKeyLNDWPMYWLUFZEI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)
SMILESC(CCCC=C=CCO)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
165.41Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.23Molar
Refractivity
41.72