Structure Database (LMSD)

Common Name
7(RS)-ST-delta8-11-dihomo-IsoF
Systematic Name
(10S,E)-7,10-dihydroxy-10-((2S,4R,5S)-4-hydroxy-5-((Z)-oct-2-en-1-yl)tetrahydrofuran-2-yl)dec-8-enoic acid
Synonyms
LM ID
LMFA04020530
Formula
C22H38O6
Exact Mass
Calculate m/z
398.266841
Sum Composition
FA 22:4;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)
OXIFGZALHQXSGG-NBABMVQXSA-N
InChi (Click to copy)
InChI=1S/C22H38O6/c1-2-3-4-5-6-9-12-20-19(25)16-21(28-20)18(24)15-14-17(23)11-8-7-10-13-22(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-/m0/s1
SMILES (Click to copy)
O[C@H]([C@H]1O[C@@H](C/C=C\CCCCC)[C@H](O)C1)/C=C/C(CCCCCC(=O)O)O

Other Databases

PubChem CID
138980911

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
9th May 2025
Updated at
14th May 2025
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