Structure database (LMSD)

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LM IDLMFA01140016
Common NameSterculynic acid
Systematic Name7-(2-non-8-yn-1-ylcycloprop-1-en-1-yl)heptanoic acid
Synonyms8,9-methyleneoctadec-8-en-17-ynoic acid
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID12443009
CHEBI ID26757
PlantFA ID10235
InChIKeyCUWBJXSLCSBCIA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h1H,
3-16H2,(H,20,21)
SMILESC(CCCCC(O)=O)CC1CC=1CCCCCCCC#C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
331.92Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.48Molar
Refractivity
88.13