Structure Database (LMSD)

Common Name
10-oxo-12Z-octadecenoic acid-d5
Systematic Name
10-oxooctadec-12Z-enoic-17,17,18,18,18-d5 acid
Synonyms
  • 12(Z)-10-oxoOME-d5
LM ID
LMFA02000459
Formula
C18H27D5O3
Exact Mass
Calculate m/z
301.266529
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
IEQLMTRAAYQDSD-PJKSMEJXSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-/i1D3,2D2
SMILES (Click to copy)
C(C(C/C=C\CCCC([2H])([2H])C([2H])([2H])[2H])=O)CCCCCCCC(O)=O

Other Databases

PubChem CID
168323045
Cayman ID
36986

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.29
Molar Refractivity 87.48

Admin

Created at
3rd Dec 2024
Updated at
5th Dec 2024