LIPID MAPS

Structure Database (LMSD)

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Common Name

8R,9R-epoxy-17-octadecen-4,6-diynoic acid

Systematic Name

8R,9R-epoxy-17-octadecen-4,6-diynoic acid

Synonyms

LM ID

LMFA01070050

Formula

C₁₈H₂₄O₃

Exact Mass

Calculate m/z

288.172545

Sum Composition

FA 18:6;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lycogala epidendrum (#300236)

Eumycetozoa (#142796)

Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014

Pubmed ID: 25193612

String Representations

InChiKey (Click to copy)

CBZFXYOBKXTQJP-IAGOWNOFSA-N

InChi (Click to copy)

InChI=1S/C18H24O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h2,16-17H,1,3-7,10,12-13,15H2,(H,19,20)/t16-,17-/m1/s1

SMILES (Click to copy)

C(#CC#C[C@@H]1[C@@H](CCCCCCCC=C)O1)CCC(O)=O

Other Databases

PubChem CID

137323814

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 0

Rotatable Bonds 10

Van der Waals Molecular Volume 318.13

Topological Polar Surface Area 49.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 4.11

Molar Refractivity 84.62

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