LIPID MAPS

Structure Database (LMSD)

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Common Name

SFE 1:0/18:3(6E,8Y)

Systematic Name

Methyl octadec-6E-en-8-ynoate

Synonyms

Methyl (E)-octadec-6-en-8-ynoate

LM ID

LMFA07100022

Formula

C₁₉H₃₂O₂

Exact Mass

Calculate m/z

292.240231

Sum Composition

SFE 19:3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Santalum yasi (#453089)

Magnoliopsida (#3398)

Acetylenic Fatty Acids and Stilbene Glycosides Isolated from Santalum yasi Collected from the Fiji Islands.,
Molecules, 2025

Pubmed ID: 41471778

DOI: 10.3390/molecules30244752

String Representations

InChiKey (Click to copy)

GVUKZYLIFHKUDR-BUHFOSPRSA-N

InChi (Click to copy)

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-10,15-18H2,1-2H3/b14-13+

SMILES (Click to copy)

C(CCCC/C=C/C#CCCCCCCCCC)(=O)OC

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 344.28

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 5.42

Molar Refractivity 90.01

Admin

Created at

6th Jan 2026

Updated at