LIPID MAPS

Structure Database (LMSD)

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Common Name

PsiAabeta

Systematic Name

8R-hydroxy-9Z-octadecen-5S-olide

Synonyms

LM ID

LMFA07040140

Formula

C₁₈H₃₂O₃

Exact Mass

Calculate m/z

296.235145

Sum Composition

FA 18:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus nidulans (#162425)

Eurotiomycetes (#147545)

Structural elucidation of sporogenic fatty acid metabolites from Aspergillus nidulans,
Tetrahedron Letts, 1990

DOI: 10.1016/S0040-4039(00)97482-3

String Representations

InChiKey (Click to copy)

NKPIBBODUUDLIE-FAGFETBGSA-N

InChi (Click to copy)

InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17-12-10-13-18(20)21-17/h9,11,16-17,19H,2-8,10,12-15H2,1H3/b11-9-/t16-,17-/m0/s1

SMILES (Click to copy)

[C@H]1(CCCC(=O)O1)CC[C@@H](O)/C=C\CCCCCCCC

Other Databases

PubChem CID

135024042

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 328.69

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.10

Molar Refractivity 87.13

Admin

Created at

22nd Oct 2020

Updated at