Structure Database (LMSD)

Common Name
13-OH-9(10)-EpOME-d5
Systematic Name
9,10-epoxy-13-hydroxy-11-octadecenoic 9,10,11,12,13-d5 acid
Synonyms
LM ID
LMFA02000489
Formula
C18H28D5O4
Exact Mass
Calculate m/z
317.261444
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]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Epoxy fatty acids [FA0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

String Representations

InChiKey (Click to copy)
BWLQUNFALXKBSJ-MNMJVTTJSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/i13D,14D,15D,16D,17D
SMILES (Click to copy)
C1([2H])(OC1([2H])CCCCCCCC(=O)O)/C(/[2H])=C(\[2H])/C([2H])(O)CCCCC

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 337.48
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.93
Molar Refractivity 89.44

Admin

Created at
22nd Jan 2025
Updated at
15th May 2025