Structure database (LMSD)

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LM IDLMFA02000004
Common Name18-hydroxy-9S,10R-epoxy-stearic acid
Systematic Name18-hydroxy-9S,10R-epoxy-octadecanoic acid
Synonyms-
Exact Mass
314.2457 (neutral)    Calculate m/z:
FormulaC18H34O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesHydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
PubChem CID16061046
InChIKeyITTPZDMHCNGAGQ-SJORKVTESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h
16-17,19H,1-15H2,(H,20,21)/t16-,17+/m1/s1
SMILESC(CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
340.12Topological Polar
Surface Area
70.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.15Molar
Refractivity
89.53