LIPID MAPS

Structure Database (LMSD)

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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

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

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

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

DOI: 10.1016/S0040-4039(00)89712-9

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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