Structure database (LMSD)

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LM IDLMFA01140018
Common NameSterculic acid
Systematic Name9,10-methylene-9-octadecenoic acid
Synonymsω-(2-n-octylcycloprop-1-enyl)octanoic acid; Stearculic acid; Stearculinic
acid; Sterculinic acid
Exact Mass
294.2559 (neutral)    Calculate m/z:
FormulaC19H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID12921
CHEBI ID9261
PlantFA ID10233
CAYMAN ID26735
InChIKeyPQRKPYLNZGDCFH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-1
6H2,1H3,(H,20,21)
SMILESC(CCCCCCC(=O)O)C1CC=1CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
337.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.25Molar
Refractivity
89.59