Structure database (LMSD)

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LM IDLMFA02000020
Common Name9H-12(13)-EpODE
Systematic Name9S-hydroxy-12R,13S-epoxy-10E,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 CID16061054
InChIKeyMGYJEJUWQRJNBN-OADLNGDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h
3,7,13-17,19H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-,14-13+/t15-,16-,17+/m0/s1
SMILESC(CCCCCCC[C@H](O)/C=C/[C@H]1O[C@H]1C/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