Structure database (LMSD)

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LM IDLMFA08030004
Common NameN-(3-oxo-octanoyl)-homoserine lactone
Systematic NameN-(3-oxo-octanoyl)-homoserine lactone
SynonymsN-(3-Oxooctanoyl)homoserine lactone
Exact Mass
241.1314 (neutral)    Calculate m/z:
FormulaC12H19NO4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassFatty acyl homoserine lactones [FA0803]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID127293
KEGG IDC11841
CAYMAN ID10011206
InChIKeyFXCMGCFNLNFLSH-JTQLQIEISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,
(H,13,15)/t10-/m0/s1
SMILESC1[C@@H](C(=O)OC1)NC(=O)CC(=O)CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
242.04Topological Polar
Surface Area
74.54Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP1.53Molar
Refractivity
62.27