Structure database (LMSD)

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LM IDLMFA01140010
Common Name4-[3]-ladderane-butanoic acid
Systematic Name4-[3]-ladderane-butanoic acid
Synonyms-
Exact Mass
248.1776 (neutral)    Calculate m/z:
FormulaC16H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607291
InChIKeyWWHSTYPFQBWANZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H24O2/c17-14(18)3-1-2-9-4-5-12-13(8-9)16-11-7-6-10(11)15(12)16/h9-13
,15-16H,1-8H2,(H,17,18)
SMILESC1C2C3C4CCC4C3C2CC(CCCC(=O)O)C1
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 Atoms18Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
250.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.56Molar
Refractivity
69.00