Structure Database (LMSD)

Common Name
Tetranor-4R-4-F4t-NeuroP
Systematic Name
(5Z,8Z)-10-((1S,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)deca-5,8-dienoic acid
Synonyms
LM ID
LMFA03110358
Formula
C19H30O5
Exact Mass
Calculate m/z
338.209326
Sum Composition
FA 19:4;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View spectra on LIPID MAPS Standard Spectra DB

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Isoprostanes [FA0311]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin Standard

String Representations

InChiKey (Click to copy)
VPOHEDQKGWFUNE-VROLYGNCSA-N
InChi (Click to copy)
InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-15-16(18(22)13-17(15)21)11-9-14(20)10-12-19(23)24/h3-4,6-7,9,11,14-18,20-22H,2,5,8,10,12-13H2,1H3,(H,23,24)/b4-3-,7-6-,11-9+/t14-,15-,16+,17-,18+/m1/s1
SMILES (Click to copy)
O[C@@H](CCC(=O)O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\CC)[C@H](O)C[C@@H]1O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 358.29
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.29
Molar Refractivity 94.97

Admin

Created at
8th May 2025
Updated at
29th May 2025