Structure database (LMSD)

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LM IDLMFA01060099
Common Name3-oxo-tetradecanoic acid
Systematic Name3-oxo-tetradecanoic acid
Synonyms-
Exact Mass
242.1882 (neutral)    Calculate m/z:
FormulaC14H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
LIPIDAT ID2228
PubChem CID454064
HMDB IDHMDB0010730
CHEBI ID37270
InChIKeyXLKOZYOVXNPWGT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,1
7)
SMILESC(CC(=O)CCCCCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
271.85Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.95Molar
Refractivity
69.10