Structure database (LMSD)

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LM IDLMFA01050175
Common Name3-hydroxy-tetradecanoic acid
Systematic Name3-hydroxy-tetradecanoic acid
Synonyms-
Exact Mass
244.2038 (neutral)    Calculate m/z:
FormulaC14H28O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID1797
PubChem CID16064
HMDB IDHMDB0061656
SWISSLIPIDS IDSLM:000390152
InChIKeyATRNZOYKSNPPBF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,
(H,16,17)
SMILESC(CC(O)CCCCCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
274.49Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.03Molar
Refractivity
70.62