Structure database (LMSD)

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LM IDLMFA01140011
Common Name4-[5]-ladderane-butanoic acid
Systematic Name4-[5]-ladderane-butanoic acid
Synonyms-
Exact Mass
246.1620 (neutral)    Calculate m/z:
FormulaC16H22O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607292
InChIKeyZDWWCRQXNJGGFF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H22O2/c17-11(18)3-1-2-7-6-10-12(7)16-14-9-5-4-8(9)13(14)15(10)16/h7-
10,12-16H,1-6H2,(H,17,18)
SMILESC1C2C3C4C5CC(CCCC(=O)O)C5C4C3C2C1
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 Atoms18Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
238.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.03Molar
Refractivity
66.75