Structure database (LMSD)

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LM IDLMFA01050039
Common NameSabinic acid
Systematic Name12-hydroxy-dodecanoic acid
Synonyms12-hydroxy lauric acid
Exact Mass
216.1725 (neutral)    Calculate m/z:
FormulaC12H24O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0305
PubChem CID79034
KEGG IDC08317
HMDB IDHMDB0002059
CHEBI ID39567
PlantFA ID10254
SWISSLIPIDS IDSLM:000389676
InChIKeyZDHCZVWCTKTBRY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
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SMILES
C(CCCCCCCCCO)CC(=O)O
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
239.89Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.25Molar
Refractivity
61.38