Structure database (LMSD)

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LM IDLMFA02000001
Common Name9S,10R-epoxy-stearic acid
Systematic Name9S,10R-epoxy-octadecanoic acid
Synonyms-
Exact Mass
298.2508 (neutral)    Calculate m/z:
FormulaC18H34O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesEpoxy fatty acids[FA0107]
PubChem CID119250
InChIKeyIMYZYCNQZDBZBQ-SJORKVTESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-
17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
SMILESC(CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
331.33Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.89Molar
Refractivity
87.63