Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140005
Common Name6-[3]-ladderane-hexanoic acid
Systematic Name6-[3]-ladderane-hexanoic acid
Synonyms-
Exact Mass
276.2089 (neutral)    Calculate m/z:
FormulaC18H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID10468709
InChIKeyAYMKDPCMEDAVJJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H28O2/c19-16(20)5-3-1-2-4-11-6-7-14-15(10-11)18-13-9-8-12(13)17(14)1
8/h11-15,17-18H,1-10H2,(H,19,20)
SMILESC1C2C3C4CCC4C3C2CC(CCCCCC(=O)O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
285.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.34Molar
Refractivity
78.24