Structure database (LMSD)

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LM IDLMFA01140013
Common Name10-[5]-ladderane-decanoic acid
Systematic Name10-[5]-ladderane-decanoic acid
Synonyms-
Exact Mass
330.2559 (neutral)    Calculate m/z:
FormulaC22H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607294
InChIKeyLXZYGXNGSMYQAG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O2/c23-17(24)9-7-5-3-1-2-4-6-8-13-12-16-18(13)22-20-15-11-10-14(1
5)19(20)21(16)22/h13-16,18-22H,1-12H2,(H,23,24)
SMILESC1C2C3C4C5CC(CCCCCCCCCC(=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 Atoms24Rings5Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
342.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.37Molar
Refractivity
94.45