Structure Database (LMSD)

Common Name
17(RS)-10-epi-SC-D15-11-dihomo-IsoF
Systematic Name
(R,Z)-10-hydroxy-10-((2S,4S,5S)-4-hydroxy-5-((E)-3-hydroxyoct-1-en-1-yl)tetrahydrofuran-2-yl)dec-7-enoic acid
Synonyms
LM ID
LMFA04020529
Formula
C22H38O6
Exact Mass
Calculate m/z
398.266841
Sum Composition
FA 22:3;O4
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]
Docosanoids [FA04]
Neurofurans [FA0402]
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)
RUBQAJUFMBPPEA-WOSHECNLSA-N
InChi (Click to copy)
InChI=1S/C22H38O6/c1-2-3-8-11-17(23)14-15-20-19(25)16-21(28-20)18(24)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17?,18-,19+,20+,21+/m1/s1
SMILES (Click to copy)
C(CCCCC/C=C\C[C@@H](O)[C@@H]1C[C@H](O)[C@H](/C=C/C(O)CCCCC)O1)(=O)O

Other Databases

PubChem CID
101913401

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 421.62
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.78
Molar Refractivity 111.62

Admin

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