Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140027
Common Name26:0(19Cp)
Systematic Name19-cyclopropyl-hexacosanoic acid
Synonyms-
Exact Mass
408.3967 (neutral)    Calculate m/z:
FormulaC27H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID52921866
InChIKeySTWTWRGWTAJRQS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H52O2/c1-2-3-4-18-21-25-24-26(25)22-19-16-14-12-10-8-6-5-7-9-11-13-1
5-17-20-23-27(28)29/h25-26H,2-24H2,1H3,(H,28,29)
SMILESC(CCCCCCCCCCCCCCCCCC1CC1CCCCCC)(=O)O
StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky, Tomas Rezankab and Morris Srebnika
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003, Pages 117-155
Calculated physicochemical properties (?):
 Heavy Atoms29Rings1Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
478.24Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.31Molar
Refractivity
126.48