Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140012
Common Name10-[3]-ladderane-decanoic acid
Systematic Name10-[3]-ladderane-decanoic acid
Synonyms-
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607293
InChIKeyLNZVFVDXQMOFRR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H36O2/c23-20(24)9-7-5-3-1-2-4-6-8-15-10-11-18-19(14-15)22-17-13-12-1
6(17)21(18)22/h15-19,21-22H,1-14H2,(H,23,24)
SMILESC1CC2C3C4CCC4C3C2CC1CCCCCCCCCC(=O)O
StatusActive
Speciesanaerobic ammonium oxidizing (anammox) bacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesRattray JE et al,Arch Microbiol. 2008 Jul;190(1):51-66 (PubMed ID:18385981)
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
354.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.90Molar
Refractivity
96.70