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

Other Databases

PubChem CID

178328656

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