Structure Database (LMSD)

Common Name
Sterculynic acid
Systematic Name
7-(2-non-8-yn-1-ylcycloprop-1-en-1-yl)heptanoic acid
Synonyms
  • 8,9-methyleneoctadec-8-en-17-ynoic acid
LM ID
LMFA01140016
Formula
C19H30O2
Exact Mass
Calculate m/z
290.22458
Sum Composition
FA 19:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pterygota alata (#300553)
Magnoliopsida (#3398)
Sterculynic acid, a fatty acid from the seed oil of,
Tetrahedron Letts, 1968

String Representations

InChiKey (Click to copy)
CUWBJXSLCSBCIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C(CCCCC(O)=O)CC1CC=1CCCCCCCC#C

Other Databases

CHEBI ID
26757
PubChem CID
12443009
PlantFA ID
10235

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 331.92
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.48
Molar Refractivity 88.13

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Updated at
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