Structure database (LMSD)

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LM IDLMFA01140095
Common Name11-Cycloheptyldecanoic acid
Systematic Name11-Cycloheptyldecanoic acid
Synonymsω-cycloheptyldecanoic acid
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
AbbrevFA 17:1
PubChem CID54175293
InChIKeyOXWPLBIDMFXUJL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c18-17(19)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16H,1-15H2,(H,18,19)
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SMILES
C1CCCCCC1CCCCCCCCCC(=O)O
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StatusActive
ReferencesThree New omega-Cycloheptyl Fatty Acids from Alicyclobacillus cycloheptanicus and Their Biosynthetic Interrelationships
Journal of Natural Products 1995
DOI: 10.1021/np50118a019
PMID: 7623036
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
305.24Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.55Molar
Refractivity
80.38