Structure database (LMSD)

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LM IDLMFA01050051
Common NameJuniperic acid
Systematic Name16-hydroxy-hexadecanoic acid
SynonymsJuniperinic acid
Exact Mass
272.2351 (neutral)    Calculate m/z:
FormulaC16H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0317
PubChem CID10466
HMDB IDHMDB0006294
PlantFA ID10261
SWISSLIPIDS IDSLM:000389680
InChIKeyUGAGPNKCDRTDHP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
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SMILES
C(CCCCCCCCCCCCCO)CC(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
309.09Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.81Molar
Refractivity
79.85