Structure database (LMSD)

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LM IDLMFA02000019
Common Name9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
Systematic Name9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
Synonyms-
Exact Mass
310.2144 (neutral)    Calculate m/z:
FormulaC18H30O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
PubChem CID16061053
InChIKeyOAIJQUCVLFETGX-OYWKBIDZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O4/c1-2-3-4-6-10-13-16-18(22-16)15(19)12-9-7-5-8-11-14-17(20)21/h
3-4,10,13,15-16,18-19H,2,5-9,11-12,14H2,1H3,(H,20,21)/b4-3-,13-10-/t15-,16-,18-/
m0/s1
SMILESC(CCCCCCC[C@H](O)[C@@H]1O[C@H]1/C=C\C/C=C\CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
334.84Topological Polar
Surface Area
70.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.70Molar
Refractivity
89.35