LIPID MAPS

Structure Database (LMSD)

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Systematic Name

(2Z,8E,10E)-pentadecatriene-4,6-diyn-1-ol

Synonyms

LM ID

LMFA05000785

Formula

C₁₅H₁₈O

Exact Mass

Calculate m/z

214.135765

Sum Composition

FOH 15:7

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)

NEGOOEOCQZTKIT-INWOKVTFSA-N

InChi (Click to copy)

InChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,13-14,16H,2-4,15H2,1H3/b6-5+,8-7+,14-13-

SMILES (Click to copy)

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

Other Databases

PubChem CID

44613551

Calculated Physicochemical Properties

Heavy Atoms 16

Rings

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 258.37

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 3.13

Molar Refractivity 70.07

Admin

Created at

26th May 2026

Updated at