Structure database (LMSD)

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LM IDLMFA01140015
Common Name12-[5]-ladderane-dodecanoic acid
Systematic Name12-[5]-ladderane-dodecanoic acid
Synonyms-
Exact Mass
358.2872 (neutral)    Calculate m/z:
FormulaC24H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID42607296
InChIKeyZPDCFDULRXOVLT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C24H38O2/c25-19(26)11-9-7-5-3-1-2-4-6-8-10-15-14-18-20(15)24-22-17-13-12-16(17)21(22)23(18)24/h15-18,20-24H,1-14H2,(H,25,26)
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SMILES
C1C2C3C4C5CC(CCCCCCCCCCCC(=O)O)C5C4C3C2C1
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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 Atoms26Rings5Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
376.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.15Molar
Refractivity
103.68