Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010014
Common Name14:0(5Me[R],9Me[R],13Me)
Systematic Name5R,9R,13-trimethyl-tetradecanoic acid
Synonyms-
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID11288708
InChIKeyAMCIEXNSDXERAY-HZPDHXFCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3,(H,18,19)/t15-,16-/m1/s1
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SMILES
C(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(=O)O
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StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky,Tomas Rezanka and Morris Srebnik
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003,117-155
and references therein
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.51Molar
Refractivity
82.35