LIPID MAPS

Structure Database (LMSD)

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Common Name

SFE 17:5(2E,4E,6Y,9Z)(1OH)/2:0

Systematic Name

(2E,4E,9Z)-1-hydroxyoctadecatrien-6-yn-18-yl acetate

Synonyms

LM ID

LMFA07011646

Formula

C₂₀H₃₀O₃

Exact Mass

Calculate m/z

318.219496

Sum Composition

SFE 20:5;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bupleurum longiradiatum (#48104)

Magnoliopsida (#3398)

Polyacetylenes from Bupleurum longiradiatum.,
J Nat Prod, 2009

Pubmed ID: 19994846

DOI: 10.1021/np900534v

String Representations

InChiKey (Click to copy)

AMKFZYKQIUVHKY-OHFZEHGBSA-N

InChi (Click to copy)

InChI=1S/C20H30O3/c1-20(22)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h2-3,10,12,14,16,21H,4-5,7,9,11,13,15,17-19H2,1H3/b3-2-,12-10+,16-14+

SMILES (Click to copy)

C(/C=C/C=C/C#CC/C=C\CCCCCCCCOC(=O)C)O

Other Databases

PubChem CID

44613549

Calculated Physicochemical Properties

Heavy Atoms 23

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 365.09

Topological Polar Surface Area 46.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.90

Molar Refractivity 96.83

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Created at

26th May 2026

Updated at