Structure database (LMSD)

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LM IDLMFA02000010
Common Name10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid
Systematic Name10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid
Synonyms-
Exact Mass
312.2301 (neutral)    Calculate m/z:
FormulaC18H32O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
PubChem CID16061049
InChIKeyNFFSPFJIYOTZQX-ZSNSXZSMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O4/c1-2-3-4-6-10-13-16-18(22-16)15(19)12-9-7-5-8-11-14-17(20)21/h
10,13,15-16,18-19H,2-9,11-12,14H2,1H3,(H,20,21)/b13-10-/t15-,16-,18-/m0/s1
SMILESC(CCCCCCC[C@H](O)[C@@H]1O[C@H]1/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
337.48Topological Polar
Surface Area
70.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.93Molar
Refractivity
89.44