LIPID MAPS

Structure Database (LMSD)

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Common Name

SFE 17:6(2E,4E,6Y,8E,10E)/2:0

Systematic Name

(2E,4E,8E,10E)-heptadecatetraen-6-yn-1-yl acetate

Synonyms

LM ID

LMFA07100025

Formula

C₁₉H₂₆O₂

Exact Mass

Calculate m/z

286.19328

Sum Composition

SFE 19:6

Abbrev Chains

SFE 17:6/2:0

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)

MAZDUSRZUTVBOS-SPONOCFTSA-N

InChi (Click to copy)

InChI=1S/C19H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h8-11,14-17H,3-7,18H2,1-2H3/b9-8+,11-10+,15-14+,17-16+

SMILES (Click to copy)

C(/C=C/C=C/C#C/C=C/C=C/CCCCCC)OC(=O)C

Other Databases

PubChem CID

44613434

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 336.36

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 5.03

Molar Refractivity 90.22

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Created at

26th May 2026

Updated at