Structure database (LMSD)

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LM IDLMFA01140014
Common Name12-[3]-ladderane-dodecanoic acid
Systematic Name12-[3]-ladderane-dodecanoic acid
Synonyms-
Exact Mass
360.3028 (neutral)    Calculate m/z:
FormulaC24H40O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607295
InChIKeyCKZGRGZXFFNECL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H40O2/c25-22(26)11-9-7-5-3-1-2-4-6-8-10-17-12-13-20-21(16-17)24-19-1
5-14-18(19)23(20)24/h17-21,23-24H,1-16H2,(H,25,26)
SMILESC1CC2C3C4CCC4C3C2CC1CCCCCCCCCCCC(=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 Atoms26Rings4Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
389.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.68Molar
Refractivity
105.94