Structure database (LMSD)

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LM IDLMFA08030001
Common NameN-(3-oxododecanoyl) homoserine lactone
Systematic NameN-(3-oxododecanoyl) homoserine lactone
Synonyms-
Exact Mass
297.1940 (neutral)    Calculate m/z:
FormulaC16H27NO4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassFatty acyl homoserine lactones [FA0803]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID3246941
CAYMAN ID10007895
InChIKeyPHSRRHGYXQCRPU-AWEZNQCLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14
H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
SMILESN([C@@]1([H])CCOC1=O)C(CC(=O)CCCCCCCCC)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
311.24Topological Polar
Surface Area
74.54Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.09Molar
Refractivity
80.74